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

C21H24N8O4 — CID 146383340

IUPACN-[(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
SMILESCNc1cc(Nc2cccn(C3NC(C)=CO3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C21H24N8O4/c1-11-10-33-21(24-11)28-7-3-4-14(20(28)32)25-16-8-17(22-2)29-18(27-16)12(9-23-29)19(31)26-13-5-6-15(13)30/h3-4,7-10,13,15,21-22,24,30H,5-6H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+,21?/m1/s1
InChIKeyKJXZICRSNSDRRG-DGKHWBLGSA-N
MW452.48 g/mol
LogP0.87
Rot. Bonds6

About 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

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 (PubChem CID 146383340) has the molecular formula C21H24N8O4 and a molecular weight of 452.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID146383340
Molecular FormulaC21H24N8O4
Molecular Weight452.48 g/mol
Exact Mass452.19
IUPAC NameN-[(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
SMILESCNc1cc(Nc2cccn(C3NC(C)=CO3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C21H24N8O4/c1-11-10-33-21(24-11)28-7-3-4-14(20(28)32)25-16-8-17(22-2)29-18(27-16)12(9-23-29)19(31)26-13-5-6-15(13)30/h3-4,7-10,13,15,21-22,24,30H,5-6H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+,21?/m1/s1
InChIKeyKJXZICRSNSDRRG-DGKHWBLGSA-N
XLogP0.87
TPSA146.84 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 50.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142524002
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
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-[(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
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,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
N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449975
N-[(2R)-2-fluorocyclobutyl]-5-[[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559152
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
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383473
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450000

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1cc(Nc2cccn(C3NC(C)=CO3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of 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?
The InChIKey is KJXZICRSNSDRRG-DGKHWBLGSA-N. The full InChI is InChI=1S/C21H24N8O4/c1-11-10-33-21(24-11)28-7-3-4-14(20(28)32)25-16-8-17(22-2)29-18(27-16)12(9-23-29)19(31)26-13-5-6-15(13)30/h3-4,7-10,13,15,21-22,24,30H,5-6H2,1-2H3,(H,25,27)(H,26,31)/t13-,15+,21?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 452.48 g/mol, XLogP of 0.87, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146383340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).