N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol

C20H26N6O2 — CID 142869906

IUPACN-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol
SMILESCC(C)CNc1cc(NC(=O)c2cccnc2)n2ncc(C3CC3)c2n1.CO
InChIInChI=1S/C19H22N6O.CH4O/c1-12(2)9-21-16-8-17(24-19(26)14-4-3-7-20-10-14)25-18(23-16)15(11-22-25)13-5-6-13;1-2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,21,23)(H,24,26);2H,1H3
InChIKeyQRAHWERBLVGWTN-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.93
Rot. Bonds6

About N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol

N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol (PubChem CID 142869906) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol
PubChem CID142869906
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol
SMILESCC(C)CNc1cc(NC(=O)c2cccnc2)n2ncc(C3CC3)c2n1.CO
InChIInChI=1S/C19H22N6O.CH4O/c1-12(2)9-21-16-8-17(24-19(26)14-4-3-7-20-10-14)25-18(23-16)15(11-22-25)13-5-6-13;1-2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,21,23)(H,24,26);2H,1H3
InChIKeyQRAHWERBLVGWTN-UHFFFAOYSA-N
XLogP2.93
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
CID 142869980
N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
CID 58853405
N-[3-cyclopropyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
CID 71160808
benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 23539627
N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methoxy-1,2-dihydropyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 143067635
N-[5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
CID 25214207
1-propan-2-yl-N'-(pyridine-3-carbonyl)pyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 42157844
N-(6-propan-2-ylpyrazin-2-yl)pyridine-3-carboxamide
CID 153291123
N-[(7R,9S)-3-cyclopropyl-5-(2-methylpropylsulfamoyl)-9-(pyridin-3-ylamino)-8,9-dihydro-7H-cyclopenta[h]isoquinolin-7-yl]pyridine-3-carboxamide
CID 156536129
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447
N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 99817832
N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 71989878

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol?
The IUPAC name of N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol (CID 142869906) is N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol.
What is the SMILES notation for N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol?
The canonical SMILES for N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol is CC(C)CNc1cc(NC(=O)c2cccnc2)n2ncc(C3CC3)c2n1.CO.
What is the InChIKey of N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol?
The InChIKey is QRAHWERBLVGWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.CH4O/c1-12(2)9-21-16-8-17(24-19(26)14-4-3-7-20-10-14)25-18(23-16)15(11-22-25)13-5-6-13;1-2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,21,23)(H,24,26);2H,1H3.
What are the key properties of N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol?
N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol has a molecular weight of 382.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol is sourced from PubChem (CID 142869906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).