N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29N7O3 — CID 146484562

IUPACN-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@](C)(O)C3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H29N7O3/c1-23(33)9-3-5-15(12-23)29-10-4-6-17(22(29)32)27-18-11-19(24-2)30-20(28-18)16(13-25-30)21(31)26-14-7-8-14/h4,6,10-11,13-15,24,33H,3,5,7-9,12H2,1-2H3,(H,26,31)(H,27,28)/t15-,23+/m1/s1
InChIKeyQGTQQQVYKKNPAX-CMJOXMDJSA-N
MW451.53 g/mol
LogP2.43
Rot. Bonds6

About N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146484562) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146484562
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@](C)(O)C3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C23H29N7O3/c1-23(33)9-3-5-15(12-23)29-10-4-6-17(22(29)32)27-18-11-19(24-2)30-20(28-18)16(13-25-30)21(31)26-14-7-8-14/h4,6,10-11,13-15,24,33H,3,5,7-9,12H2,1-2H3,(H,26,31)(H,27,28)/t15-,23+/m1/s1
InChIKeyQGTQQQVYKKNPAX-CMJOXMDJSA-N
XLogP2.43
TPSA125.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146484562) is N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCC[C@](C)(O)C3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QGTQQQVYKKNPAX-CMJOXMDJSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-23(33)9-3-5-15(12-23)29-10-4-6-17(22(29)32)27-18-11-19(24-2)30-20(28-18)16(13-25-30)21(31)26-14-7-8-14/h4,6,10-11,13-15,24,33H,3,5,7-9,12H2,1-2H3,(H,26,31)(H,27,28)/t15-,23+/m1/s1.
What are the key properties of N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146484562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).