2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H22N6O — CID 46960471

IUPAC2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCN(Cc3ccncc3)CC2)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C21H22N6O/c22-20-12-17(24-21-13-18(25-27(20)21)19-2-1-11-28-19)16-5-9-26(10-6-16)14-15-3-7-23-8-4-15/h1-4,7-8,11-13,16H,5-6,9-10,14,22H2
InChIKeyVPIGPGZOEPJCKL-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.35
Rot. Bonds4

About 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46960471) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46960471
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCN(Cc3ccncc3)CC2)nc2cc(-c3ccco3)nn12
InChIInChI=1S/C21H22N6O/c22-20-12-17(24-21-13-18(25-27(20)21)19-2-1-11-28-19)16-5-9-26(10-6-16)14-15-3-7-23-8-4-15/h1-4,7-8,11-13,16H,5-6,9-10,14,22H2
InChIKeyVPIGPGZOEPJCKL-UHFFFAOYSA-N
XLogP3.35
TPSA85.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(1-ethylpiperidin-4-yl)-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46953383
[4-[[(3R)-3-[7-amino-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenyl] acetate
CID 92550770
2-N-[(3S)-1-benzylpyrrolidin-3-yl]-7-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 124674718
1-benzyl-3-(furan-2-yl)pyrazol-5-amine
CID 15858676
5-[(3S)-1-benzylpiperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 51584804
2-methyl-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136715602
7-(furan-2-yl)-2,4-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13424971
7-(furan-2-yl)-2-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 69435232
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
7-(4-benzylpiperazin-1-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002420
4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135882171
7-(furan-2-yl)-2-piperazin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 69432521

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 46960471) is 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CCN(Cc3ccncc3)CC2)nc2cc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VPIGPGZOEPJCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-20-12-17(24-21-13-18(25-27(20)21)19-2-1-11-28-19)16-5-9-26(10-6-16)14-15-3-7-23-8-4-15/h1-4,7-8,11-13,16H,5-6,9-10,14,22H2.
What are the key properties of 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 374.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46960471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).