N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H33N7O4 — CID 137450076

IUPACN-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C25H33N7O4/c1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33/h4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34)/t15?,17-,19-,25?/m0/s1
InChIKeyKKCGRFLOYSVGJR-SKIATZFDSA-N
MW495.58 g/mol
LogP2.45
Rot. Bonds7

About N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450076) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450076
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC NameN-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C25H33N7O4/c1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33/h4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34)/t15?,17-,19-,25?/m0/s1
InChIKeyKKCGRFLOYSVGJR-SKIATZFDSA-N
XLogP2.45
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

3-[[3-[[[(1R,2S)-2-hydroxycyclobutyl]amino]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-(4-methoxy-4-methylcyclohexyl)pyridin-2-one;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(N-[(2R)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide)
CID 158181917
5-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142524002
N-(2-hydroxycyclobutyl)-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 139425648
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559146
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383343
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559137
N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450124
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450055
N-[(2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-[(3S)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450029
5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2S)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486334
5-[[1-[(1S,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449245
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-2,3-dihydro-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383340

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450076) is N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KKCGRFLOYSVGJR-SKIATZFDSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-25(36-3)10-8-15(9-11-25)31-12-4-5-18(24(31)35)28-20-13-21(26-2)32-22(30-20)16(14-27-32)23(34)29-17-6-7-19(17)33/h4-5,12-15,17,19,26,33H,6-11H2,1-3H3,(H,28,30)(H,29,34)/t15?,17-,19-,25?/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.45, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).