N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one

C24H37N7O2 — CID 142523669

IUPACN-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one
SMILESCCC(CC(C)C)NC=O.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C)cnn12
InChIInChI=1S/C16H20N6O.C8H17NO/c1-10(2)21-7-5-6-12(16(21)23)19-13-8-14(17-4)22-15(20-13)11(3)9-18-22;1-4-8(9-6-10)5-7(2)3/h5-10,17H,1-4H3,(H,19,20);6-8H,4-5H2,1-3H3,(H,9,10)
InChIKeyNHOWKJBBHUHNSS-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.12
Rot. Bonds9

About N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one

N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one (PubChem CID 142523669) has the molecular formula C24H37N7O2 and a molecular weight of 455.61 g/mol. Its IUPAC name is N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound NameN-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one
PubChem CID142523669
Molecular FormulaC24H37N7O2
Molecular Weight455.61 g/mol
Exact Mass455.30
IUPAC NameN-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one
SMILESCCC(CC(C)C)NC=O.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C)cnn12
InChIInChI=1S/C16H20N6O.C8H17NO/c1-10(2)21-7-5-6-12(16(21)23)19-13-8-14(17-4)22-15(20-13)11(3)9-18-22;1-4-8(9-6-10)5-7(2)3/h5-10,17H,1-4H3,(H,19,20);6-8H,4-5H2,1-3H3,(H,9,10)
InChIKeyNHOWKJBBHUHNSS-UHFFFAOYSA-N
XLogP4.12
TPSA105.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one 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-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383465
3-[[3-[(3aS,7aR)-3a-hydroxy-1,4,5,6,7,7a-hexahydroindol-2-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one
CID 146383438
N-[(2S)-2-hydroxy-2-(trifluoromethyl)cyclobutyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153486236
5-[[1-(3,3-difluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146426588
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
tert-butyl N-[3-(8-hydroxyoctan-3-ylcarbamoyl)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 139390539
N-[(2S)-3-hydroxy-2-methylpropyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450221
5-[[1-(3-fluorocyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-methylidenepyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560719
5-[(5-chloro-1-ethyl-2-oxo-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449658
5-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142524002
5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146569470

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one?
The IUPAC name of N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one (CID 142523669) is N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one is CCC(CC(C)C)NC=O.CNc1cc(Nc2cccn(C(C)C)c2=O)nc2c(C)cnn12.
What is the InChIKey of N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one?
The InChIKey is NHOWKJBBHUHNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O.C8H17NO/c1-10(2)21-7-5-6-12(16(21)23)19-13-8-14(17-4)22-15(20-13)11(3)9-18-22;1-4-8(9-6-10)5-7(2)3/h5-10,17H,1-4H3,(H,19,20);6-8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one?
N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one has a molecular weight of 455.61 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-3-yl)formamide;3-[[3-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 142523669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).