N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25N9O2 — CID 137449156

IUPACN-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cn(-c3ccn(C)n3)c2=O)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C22H25N9O2/c1-13-9-16(22(33)30(12-13)18-7-8-29(3)28-18)26-17-10-19(23-2)31-20(27-17)15(11-24-31)21(32)25-14-5-4-6-14/h7-12,14,23H,4-6H2,1-3H3,(H,25,32)(H,26,27)
InChIKeyMMUWKZANQUSSFF-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.99
Rot. Bonds6

About N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449156) has the molecular formula C22H25N9O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449156
Molecular FormulaC22H25N9O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C)cn(-c3ccn(C)n3)c2=O)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C22H25N9O2/c1-13-9-16(22(33)30(12-13)18-7-8-29(3)28-18)26-17-10-19(23-2)31-20(27-17)15(11-24-31)21(32)25-14-5-4-6-14/h7-12,14,23H,4-6H2,1-3H3,(H,25,32)(H,26,27)
InChIKeyMMUWKZANQUSSFF-UHFFFAOYSA-N
XLogP1.99
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 122615173
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449741
N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449972
N-cyclopropyl-6-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155523586
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181627
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(oxetan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560351
5-[[1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441429
N-cyclopropyl-5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441452
5-[[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-N-(2-methoxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441562
5-[[1-(1-cyclopropylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449129
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449136
5-[[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449138

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449156) is N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C)cn(-c3ccn(C)n3)c2=O)nc2c(C(=O)NC3CCC3)cnn12.
What is the InChIKey of N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MMUWKZANQUSSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O2/c1-13-9-16(22(33)30(12-13)18-7-8-29(3)28-18)26-17-10-19(23-2)31-20(27-17)15(11-24-31)21(32)25-14-5-4-6-14/h7-12,14,23H,4-6H2,1-3H3,(H,25,32)(H,26,27).
What are the key properties of N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-7-(methylamino)-5-[[5-methyl-1-(1-methylpyrazol-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).