6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N6O — CID 154797524

IUPAC6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2cc(CN3CCCC3c3cccnc3)cnc12
InChIInChI=1S/C17H18N6O/c18-16(24)14-9-21-23-11-12(7-20-17(14)23)10-22-6-2-4-15(22)13-3-1-5-19-8-13/h1,3,5,7-9,11,15H,2,4,6,10H2,(H2,18,24)
InChIKeyKLUZLXYONCOVNH-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.56
Rot. Bonds4

About 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154797524) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154797524
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2cc(CN3CCCC3c3cccnc3)cnc12
InChIInChI=1S/C17H18N6O/c18-16(24)14-9-21-23-11-12(7-20-17(14)23)10-22-6-2-4-15(22)13-3-1-5-19-8-13/h1,3,5,7-9,11,15H,2,4,6,10H2,(H2,18,24)
InChIKeyKLUZLXYONCOVNH-UHFFFAOYSA-N
XLogP1.56
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95229392
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162630693
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
3-(18F)fluoro-4-[4-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]phenoxy](18F)benzamide
CID 134819949
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99928577
3-[(2S)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]pyridine
CID 40533269
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1H-pyridin-2-one
CID 171674206

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154797524) is 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2cc(CN3CCCC3c3cccnc3)cnc12.
What is the InChIKey of 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KLUZLXYONCOVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-16(24)14-9-21-23-11-12(7-20-17(14)23)10-22-6-2-4-15(22)13-3-1-5-19-8-13/h1,3,5,7-9,11,15H,2,4,6,10H2,(H2,18,24).
What are the key properties of 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154797524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).