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

C25H35N7O4 — CID 139425643

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C25H35N7O4/c1-25(2,15-33)14-27-23(34)18-13-28-32-21(26-3)12-20(30-22(18)32)29-19-9-6-10-31(24(19)35)16-7-5-8-17(11-16)36-4/h6,9-10,12-13,16-17,26,33H,5,7-8,11,14-15H2,1-4H3,(H,27,34)(H,29,30)/t16-,17+/m1/s1
InChIKeySSMCIZPOGSHNDR-SJORKVTESA-N
MW497.60 g/mol
LogP2.55
Rot. Bonds9

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

N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139425643) has the molecular formula C25H35N7O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID139425643
Molecular FormulaC25H35N7O4
Molecular Weight497.60 g/mol
Exact Mass497.28
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12
InChIInChI=1S/C25H35N7O4/c1-25(2,15-33)14-27-23(34)18-13-28-32-21(26-3)12-20(30-22(18)32)29-19-9-6-10-31(24(19)35)16-7-5-8-17(11-16)36-4/h6,9-10,12-13,16-17,26,33H,5,7-8,11,14-15H2,1-4H3,(H,27,34)(H,29,30)/t16-,17+/m1/s1
InChIKeySSMCIZPOGSHNDR-SJORKVTESA-N
XLogP2.55
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[[1-[(1S,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449642
N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449804
5-[[1-[(1S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383474
5-[[1-[(2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450194
5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569470
5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(2R)-3-hydroxy-2-methylpropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449798
1-[(1S,2R)-2-hydroxycyclobutyl]-3-[[3-[2-[(1R,3R)-3-methoxycyclohexyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
CID 158993047
5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146806349
1-[(1R,2S)-2-hydroxycyclopentyl]-3-[[3-[2-[(1R,3R)-3-methoxycyclopentyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridin-2-one
CID 153486301
5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 148907710
5-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523721
5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-hydroxycyclobutyl]-5-[[1-[(1S,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1S,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R,2R)-2-methoxycyclobutyl]-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159097427

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139425643) is N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCC[C@H](OC)C3)c2=O)nc2c(C(=O)NCC(C)(C)CO)cnn12.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SSMCIZPOGSHNDR-SJORKVTESA-N. The full InChI is InChI=1S/C25H35N7O4/c1-25(2,15-33)14-27-23(34)18-13-28-32-21(26-3)12-20(30-22(18)32)29-19-9-6-10-31(24(19)35)16-7-5-8-17(11-16)36-4/h6,9-10,12-13,16-17,26,33H,5,7-8,11,14-15H2,1-4H3,(H,27,34)(H,29,30)/t16-,17+/m1/s1.
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 2.55, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-5-[[1-[(1R,3S)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139425643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).