7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C52H59N15O10 — CID 91266738

IUPAC7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)N1CCCCC1
InChIInChI=1S/C27H32N8O5.C25H27N7O5/c1-16(26(38)34-11-8-18(9-12-34)32(2)3)30-25(37)21-14-19(31-23-7-10-29-35(21)23)24(36)28-15-17-5-6-22-20(13-17)33(4)27(39)40-22;1-15(24(35)31-10-4-3-5-11-31)28-23(34)19-13-17(29-21-8-9-27-32(19)21)22(33)26-14-16-6-7-20-18(12-16)30(2)25(36)37-20/h5-7,10,13-14,16,18H,8-9,11-12,15H2,1-4H3,(H,28,36)(H,30,37);6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,26,33)(H,28,34)/t16-;15-/m00/s1
InChIKeyMPWYWEJGPZYXGG-HSFSLCHJSA-N
MW1054.14 g/mol
LogP2.01
Rot. Bonds13

About 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 91266738) has the molecular formula C52H59N15O10 and a molecular weight of 1054.14 g/mol. Its IUPAC name is 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID91266738
Molecular FormulaC52H59N15O10
Molecular Weight1054.14 g/mol
Exact Mass1053.46
IUPAC Name7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)N1CCCCC1
InChIInChI=1S/C27H32N8O5.C25H27N7O5/c1-16(26(38)34-11-8-18(9-12-34)32(2)3)30-25(37)21-14-19(31-23-7-10-29-35(21)23)24(36)28-15-17-5-6-22-20(13-17)33(4)27(39)40-22;1-15(24(35)31-10-4-3-5-11-31)28-23(34)19-13-17(29-21-8-9-27-32(19)21)22(33)26-14-16-6-7-20-18(12-16)30(2)25(36)37-20/h5-7,10,13-14,16,18H,8-9,11-12,15H2,1-4H3,(H,28,36)(H,30,37);6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,26,33)(H,28,34)/t16-;15-/m00/s1
InChIKeyMPWYWEJGPZYXGG-HSFSLCHJSA-N
XLogP2.01
TPSA290.92 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.14
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 91266738) is 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)N1CCCCC1.
What is the InChIKey of 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is MPWYWEJGPZYXGG-HSFSLCHJSA-N. The full InChI is InChI=1S/C27H32N8O5.C25H27N7O5/c1-16(26(38)34-11-8-18(9-12-34)32(2)3)30-25(37)21-14-19(31-23-7-10-29-35(21)23)24(36)28-15-17-5-6-22-20(13-17)33(4)27(39)40-22;1-15(24(35)31-10-4-3-5-11-31)28-23(34)19-13-17(29-21-8-9-27-32(19)21)22(33)26-14-16-6-7-20-18(12-16)30(2)25(36)37-20/h5-7,10,13-14,16,18H,8-9,11-12,15H2,1-4H3,(H,28,36)(H,30,37);6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,26,33)(H,28,34)/t16-;15-/m00/s1.
What are the key properties of 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 1054.14 g/mol, XLogP of 2.01, 13 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 91266738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).