N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone

C102H126Cl2F5N29O6 — CID 159361405

IUPACN-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(C)cc(C)n4)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NC(=O)C(F)F)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NC(=O)N(C)C)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C(F)(F)F)n4)nn3cc2C)C1
InChIInChI=1S/C27H35ClN8O2.C26H30ClF2N7O2.C25H33N7O.C24H28F3N7O/c1-17-15-36-24(31-25(17)34-12-10-19(16-34)29-2)14-22(32-36)23-7-5-6-11-35(23)26(37)20-13-18(28)8-9-21(20)30-27(38)33(3)4;1-15-13-36-22(32-24(15)34-10-8-17(14-34)30-2)12-20(33-36)21-5-3-4-9-35(21)26(38)18-11-16(27)6-7-19(18)31-25(37)23(28)29;1-16-11-18(3)27-21(12-16)25(33)31-9-6-5-7-22(31)20-13-23-28-24(17(2)14-32(23)29-20)30-10-8-19(15-30)26-4;1-15-13-34-21(30-22(15)32-11-9-16(14-32)28-2)12-18(31-34)19-7-3-4-10-33(19)23(35)17-6-5-8-20(29-17)24(25,26)27/h8-9,13-15,19,23,29H,5-7,10-12,16H2,1-4H3,(H,30,38);6-7,11-13,17,21,23,30H,3-5,8-10,14H2,1-2H3,(H,31,37);11-14,19,22,26H,5-10,15H2,1-4H3;5-6,8,12-13,16,19,28H,3-4,7,9-11,14H2,1-2H3/t19-,23-;17-,21-;19-,22-;16-,19-/m0000/s1
InChIKeyLIOXFUWSDIFZKG-XSQVEKKHSA-N
MW2020.22 g/mol
LogP14.84
Rot. Bonds19

About N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone

N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 159361405) has the molecular formula C102H126Cl2F5N29O6 and a molecular weight of 2020.22 g/mol. Its IUPAC name is N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound NameN-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID159361405
Molecular FormulaC102H126Cl2F5N29O6
Molecular Weight2020.22 g/mol
Exact Mass2017.97
IUPAC NameN-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(C)cc(C)n4)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NC(=O)C(F)F)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NC(=O)N(C)C)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C(F)(F)F)n4)nn3cc2C)C1
InChIInChI=1S/C27H35ClN8O2.C26H30ClF2N7O2.C25H33N7O.C24H28F3N7O/c1-17-15-36-24(31-25(17)34-12-10-19(16-34)29-2)14-22(32-36)23-7-5-6-11-35(23)26(37)20-13-18(28)8-9-21(20)30-27(38)33(3)4;1-15-13-36-22(32-24(15)34-10-8-17(14-34)30-2)12-20(33-36)21-5-3-4-9-35(21)26(38)18-11-16(27)6-7-19(18)31-25(37)23(28)29;1-16-11-18(3)27-21(12-16)25(33)31-9-6-5-7-22(31)20-13-23-28-24(17(2)14-32(23)29-20)30-10-8-19(15-30)26-4;1-15-13-34-21(30-22(15)32-11-9-16(14-32)28-2)12-18(31-34)19-7-3-4-10-33(19)23(35)17-6-5-8-20(29-17)24(25,26)27/h8-9,13-15,19,23,29H,5-7,10-12,16H2,1-4H3,(H,30,38);6-7,11-13,17,21,23,30H,3-5,8-10,14H2,1-2H3,(H,31,37);11-14,19,22,26H,5-10,15H2,1-4H3;5-6,8,12-13,16,19,28H,3-4,7,9-11,14H2,1-2H3/t19-,23-;17-,21-;19-,22-;16-,19-/m0000/s1
InChIKeyLIOXFUWSDIFZKG-XSQVEKKHSA-N
XLogP14.84
TPSA350.30 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002020.22
LogP ≤ 514.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20240368194, Example 19
CID 167439979
US20240368194, Example 47
CID 172494624
N-[2-[(1-benzylpyrrolidin-3-yl)carbamoyl]-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58047751
N-[4-chloro-2-methyl-6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 58047795
N-[2-[(1-benzylpyrrolidin-3-yl)carbamoyl]-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58047857
N-[4-chloro-2-methyl-6-[[(1R)-1-phenylethyl]carbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032362
N-[4-chloro-2-methyl-6-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032383
N-[4-chloro-2-methyl-6-(1-phenylethylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032402
N-[4-chloro-2-methyl-6-[(6-propylpyridin-2-yl)methylcarbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032410
N-[4-chloro-2-methyl-6-[1-(3-methylphenyl)ethylcarbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032411
N-[4-chloro-2-methyl-6-[(6-phenylpyridin-2-yl)methylcarbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032425
N-[4-chloro-2-[(6-ethylpyridin-2-yl)methylcarbamoyl]-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032426

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone (CID 159361405) is N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone is CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(C)cc(C)n4)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NC(=O)C(F)F)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cc(Cl)ccc4NC(=O)N(C)C)nn3cc2C)C1.CN[C@H]1CCN(c2nc3cc([C@@H]4CCCCN4C(=O)c4cccc(C(F)(F)F)n4)nn3cc2C)C1.
What is the InChIKey of N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is LIOXFUWSDIFZKG-XSQVEKKHSA-N. The full InChI is InChI=1S/C27H35ClN8O2.C26H30ClF2N7O2.C25H33N7O.C24H28F3N7O/c1-17-15-36-24(31-25(17)34-12-10-19(16-34)29-2)14-22(32-36)23-7-5-6-11-35(23)26(37)20-13-18(28)8-9-21(20)30-27(38)33(3)4;1-15-13-36-22(32-24(15)34-10-8-17(14-34)30-2)12-20(33-36)21-5-3-4-9-35(21)26(38)18-11-16(27)6-7-19(18)31-25(37)23(28)29;1-16-11-18(3)27-21(12-16)25(33)31-9-6-5-7-22(31)20-13-23-28-24(17(2)14-32(23)29-20)30-10-8-19(15-30)26-4;1-15-13-34-21(30-22(15)32-11-9-16(14-32)28-2)12-18(31-34)19-7-3-4-10-33(19)23(35)17-6-5-8-20(29-17)24(25,26)27/h8-9,13-15,19,23,29H,5-7,10-12,16H2,1-4H3,(H,30,38);6-7,11-13,17,21,23,30H,3-5,8-10,14H2,1-2H3,(H,31,37);11-14,19,22,26H,5-10,15H2,1-4H3;5-6,8,12-13,16,19,28H,3-4,7,9-11,14H2,1-2H3/t19-,23-;17-,21-;19-,22-;16-,19-/m0000/s1.
What are the key properties of N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone?
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 2020.22 g/mol, XLogP of 14.84, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 159361405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).