N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

C21H23N5O2 — CID 58853405

IUPACN-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C21H23N5O2/c27-12-15-3-1-5-16(15)18-9-19(25-21(28)14-4-2-8-22-10-14)26-20(24-18)17(11-23-26)13-6-7-13/h2,4,8-11,13,15-16,27H,1,3,5-7,12H2,(H,25,28)/t15-,16?/m0/s1
InChIKeyXKHVIOUBXGQLLB-VYRBHSGPSA-N
MW377.45 g/mol
LogP3.13
Rot. Bonds5

About N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 58853405) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID58853405
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C21H23N5O2/c27-12-15-3-1-5-16(15)18-9-19(25-21(28)14-4-2-8-22-10-14)26-20(24-18)17(11-23-26)13-6-7-13/h2,4,8-11,13,15-16,27H,1,3,5-7,12H2,(H,25,28)/t15-,16?/m0/s1
InChIKeyXKHVIOUBXGQLLB-VYRBHSGPSA-N
XLogP3.13
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-cyclopropyl-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
CID 71160808
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-(2-methylpropylamino)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide;methanol
CID 142869906
benzyl 3-[3-cyclopropyl-7-(pyridine-3-carbonylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 23539627
N-[3-cyclopropyl-5-(1-phenacylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-sulfonamide
CID 10459209
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
5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;[(1S,2R)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]methanol
CID 158513358
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
N-[5-(cyclobutylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
CID 59437532
N-[5-(cycloheptylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
CID 25214470
N-cyclopentylpyridine-3-carboxamide
CID 805532

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 58853405) is N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is O=C(Nc1cc(C2CCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is XKHVIOUBXGQLLB-VYRBHSGPSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-12-15-3-1-5-16(15)18-9-19(25-21(28)14-4-2-8-22-10-14)26-20(24-18)17(11-23-26)13-6-7-13/h2,4,8-11,13,15-16,27H,1,3,5-7,12H2,(H,25,28)/t15-,16?/m0/s1.
What are the key properties of N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-[(2R)-2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 58853405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).