N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

C21H26N6O2 — CID 142869980

IUPACN-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESCC(C)C(CO)Nc1cc(NC(=O)c2cccnc2)n2ncc(C3CCC3)c2n1
InChIInChI=1S/C21H26N6O2/c1-13(2)17(12-28)24-18-9-19(26-21(29)15-7-4-8-22-10-15)27-20(25-18)16(11-23-27)14-5-3-6-14/h4,7-11,13-14,17,28H,3,5-6,12H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyIWILWFGYYLWRCX-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.07
Rot. Bonds7

About N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 142869980) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID142869980
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESCC(C)C(CO)Nc1cc(NC(=O)c2cccnc2)n2ncc(C3CCC3)c2n1
InChIInChI=1S/C21H26N6O2/c1-13(2)17(12-28)24-18-9-19(26-21(29)15-7-4-8-22-10-15)27-20(25-18)16(11-23-27)14-5-3-6-14/h4,7-11,13-14,17,28H,3,5-6,12H2,1-2H3,(H,24,25)(H,26,29)
InChIKeyIWILWFGYYLWRCX-UHFFFAOYSA-N
XLogP3.07
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-cyclopropyl-5-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol
CID 142869906
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-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
N-(6-propan-2-ylpyrazin-2-yl)pyridine-3-carboxamide
CID 153291123
N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
CID 59437532
N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 139834352

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 142869980) is N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is CC(C)C(CO)Nc1cc(NC(=O)c2cccnc2)n2ncc(C3CCC3)c2n1.
What is the InChIKey of N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is IWILWFGYYLWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13(2)17(12-28)24-18-9-19(26-21(29)15-7-4-8-22-10-15)27-20(25-18)16(11-23-27)14-5-3-6-14/h4,7-11,13-14,17,28H,3,5-6,12H2,1-2H3,(H,24,25)(H,26,29).
What are the key properties of N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-[(1-hydroxy-3-methylbutan-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142869980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).