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

C25H33N7O4 — CID 137449642

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[[1-[(1S,3R)-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)NCC3(CO)CC3)cnn12
InChIInChI=1S/C25H33N7O4/c1-26-21-12-20(29-19-7-4-10-31(24(19)35)16-5-3-6-17(11-16)36-2)30-22-18(13-28-32(21)22)23(34)27-14-25(15-33)8-9-25/h4,7,10,12-13,16-17,26,33H,3,5-6,8-9,11,14-15H2,1-2H3,(H,27,34)(H,29,30)/t16-,17+/m0/s1
InChIKeyPSDGGTCVLDDRJI-DLBZAZTESA-N
MW495.58 g/mol
LogP2.31
Rot. Bonds9

About 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

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 (PubChem CID 137449642) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[[1-[(1S,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449642
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[[1-[(1S,3R)-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)NCC3(CO)CC3)cnn12
InChIInChI=1S/C25H33N7O4/c1-26-21-12-20(29-19-7-4-10-31(24(19)35)16-5-3-6-17(11-16)36-2)30-22-18(13-28-32(21)22)23(34)27-14-25(15-33)8-9-25/h4,7,10,12-13,16-17,26,33H,3,5-6,8-9,11,14-15H2,1-2H3,(H,27,34)(H,29,30)/t16-,17+/m0/s1
InChIKeyPSDGGTCVLDDRJI-DLBZAZTESA-N
XLogP2.31
TPSA134.81 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
5-[[1-[(1R,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[[1-[(1S,3S)-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;N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159508093
5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441571
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
5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569470
5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572528
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
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
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-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523721
5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383396

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(Nc2cccn([C@H]3CCC[C@@H](OC)C3)c2=O)nc2c(C(=O)NCC3(CO)CC3)cnn12.
What is the InChIKey of 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?
The InChIKey is PSDGGTCVLDDRJI-DLBZAZTESA-N. The full InChI is InChI=1S/C25H33N7O4/c1-26-21-12-20(29-19-7-4-10-31(24(19)35)16-5-3-6-17(11-16)36-2)30-22-18(13-28-32(21)22)23(34)27-14-25(15-33)8-9-25/h4,7,10,12-13,16-17,26,33H,3,5-6,8-9,11,14-15H2,1-2H3,(H,27,34)(H,29,30)/t16-,17+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 495.58 g/mol, XLogP of 2.31, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137449642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).