7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate

C79H70ClF4N17O10 — CID 158908419

About 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate

7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 158908419) has the molecular formula C79H70ClF4N17O10 and a molecular weight of 1528.98 g/mol. Its IUPAC name is 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
• PubChem CID: 158908419
• Molecular Formula: C79H70ClF4N17O10
• Molecular Weight: 1528.98 g/mol
• Exact Mass: 1527.51
• IUPAC Name: 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
• SMILES: CC(=O)c1ccc2c(c1C)CC[C@@H]2Nc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12.COC(=O)c1cc(Cl)n2nccc2n1.COC(=O)c1cc(N[C@H]2CCc3c2ccc(C(C)=O)c3C)n2nccc2n1.Cc1c(C(=O)O)ccc2c1CC[C@@H]2Nc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12
• InChI: InChI=1S/C26H23F2N5O2.C25H21F2N5O3.C20H20N4O3.C8H6ClN3O2/c1-14-17(15(2)34)4-5-19-18(14)6-8-22(19)31-25-12-23(32-24-9-10-30-33(24)25)26(35)29-13-16-3-7-20(27)21(28)11-16;1-13-15-5-7-20(17(15)4-3-16(13)25(34)35)30-23-11-21(31-22-8-9-29-32(22)23)24(33)28-12-14-2-6-18(26)19(27)10-14;1-11-13(12(2)25)4-5-15-14(11)6-7-16(15)22-19-10-17(20(26)27-3)23-18-8-9-21-24(18)19;1-14-8(13)5-4-6(9)12-7(11-5)2-3-10-12/h3-5,7,9-12,22,31H,6,8,13H2,1-2H3,(H,29,35);2-4,6,8-11,20,30H,5,7,12H2,1H3,(H,28,33)(H,34,35);4-5,8-10,16,22H,6-7H2,1-3H3;2-4H,1H3/t22-;20-;16-;/m000./s1
• InChIKey: JGIMJMHOCFDGQU-PJOMHAMFSA-N
• XLogP: 12.89
• TPSA: 339.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1528.98
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate?

The IUPAC name of 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 158908419) is 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate.

What is the SMILES notation for 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate?

The canonical SMILES for 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate is CC(=O)c1ccc2c(c1C)CC[C@@H]2Nc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12.COC(=O)c1cc(Cl)n2nccc2n1.COC(=O)c1cc(N[C@H]2CCc3c2ccc(C(C)=O)c3C)n2nccc2n1.Cc1c(C(=O)O)ccc2c1CC[C@@H]2Nc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12.

What is the InChIKey of 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate?

The InChIKey is JGIMJMHOCFDGQU-PJOMHAMFSA-N. The full InChI is InChI=1S/C26H23F2N5O2.C25H21F2N5O3.C20H20N4O3.C8H6ClN3O2/c1-14-17(15(2)34)4-5-19-18(14)6-8-22(19)31-25-12-23(32-24-9-10-30-33(24)25)26(35)29-13-16-3-7-20(27)21(28)11-16;1-13-15-5-7-20(17(15)4-3-16(13)25(34)35)30-23-11-21(31-22-8-9-29-32(22)23)24(33)28-12-14-2-6-18(26)19(27)10-14;1-11-13(12(2)25)4-5-15-14(11)6-7-16(15)22-19-10-17(20(26)27-3)23-18-8-9-21-24(18)19;1-14-8(13)5-4-6(9)12-7(11-5)2-3-10-12/h3-5,7,9-12,22,31H,6,8,13H2,1-2H3,(H,29,35);2-4,6,8-11,20,30H,5,7,12H2,1H3,(H,28,33)(H,34,35);4-5,8-10,16,22H,6-7H2,1-3H3;2-4H,1H3/t22-;20-;16-;/m000./s1.

What are the key properties of 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate?

7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 1528.98 g/mol, XLogP of 12.89, 17 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 7-[[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazolo[1,5-a]pyrimidine-5-carboxylate;methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 158908419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).