N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N7O3 — CID 137449153

IUPACN-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(CC3CCCCO3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C22H27N7O3/c1-23-19-11-18(27-20-16(12-24-29(19)20)21(30)25-14-7-8-14)26-17-6-4-9-28(22(17)31)13-15-5-2-3-10-32-15/h4,6,9,11-12,14-15,23H,2-3,5,7-8,10,13H2,1H3,(H,25,30)(H,26,27)
InChIKeyPDKSIYKDJPMXSC-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.14
Rot. Bonds7

About N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449153) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449153
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(CC3CCCCO3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C22H27N7O3/c1-23-19-11-18(27-20-16(12-24-29(19)20)21(30)25-14-7-8-14)26-17-6-4-9-28(22(17)31)13-15-5-2-3-10-32-15/h4,6,9,11-12,14-15,23H,2-3,5,7-8,10,13H2,1H3,(H,25,30)(H,26,27)
InChIKeyPDKSIYKDJPMXSC-UHFFFAOYSA-N
XLogP2.14
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449164
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-pyridin-3-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450224
N-cyclopropyl-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523504
N-cyclopropyl-5-[[1-[(3R,4R)-3-methoxyoxan-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449487
N-cyclopropyl-5-[[1-[(1R,3S)-3-hydroxy-3-methylcyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146484562
5-[[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3S)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450177
methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
CID 154678689
N-cyclopropyl-5-[[1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449214
5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-hydroxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450103
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449820
5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(3R,4R)-4-hydroxyoxolan-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383443
N-(3-fluoro-3-methylcyclobutyl)-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 165108884

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449153) is N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(CC3CCCCO3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PDKSIYKDJPMXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-23-19-11-18(27-20-16(12-24-29(19)20)21(30)25-14-7-8-14)26-17-6-4-9-28(22(17)31)13-15-5-2-3-10-32-15/h4,6,9,11-12,14-15,23H,2-3,5,7-8,10,13H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).