2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H14N6O — CID 157038474

IUPAC2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cccnc1CNc1ccn2nc(-c3ccco3)c(C#N)c2n1
InChIInChI=1S/C18H14N6O/c1-12-4-2-7-20-14(12)11-21-16-6-8-24-18(22-16)13(10-19)17(23-24)15-5-3-9-25-15/h2-9H,11H2,1H3,(H,21,22)
InChIKeyBEIGCMLBKSHHQR-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.18
Rot. Bonds4

About 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 157038474) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID157038474
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cccnc1CNc1ccn2nc(-c3ccco3)c(C#N)c2n1
InChIInChI=1S/C18H14N6O/c1-12-4-2-7-20-14(12)11-21-16-6-8-24-18(22-16)13(10-19)17(23-24)15-5-3-9-25-15/h2-9H,11H2,1H3,(H,21,22)
InChIKeyBEIGCMLBKSHHQR-UHFFFAOYSA-N
XLogP3.18
TPSA92.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-5-(morpholin-2-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166829280
tert-butyl (2R)-2-[[[3-cyano-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 157038552
1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
CID 112650247
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 114881034
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63306219
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 83077164
2-(3-fluorophenyl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 157038339
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063
5-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306403
2-(furan-2-yl)-3-[(3-propylpyrrol-1-yl)methyl]pyrazolo[1,5-a]pyrimidine
CID 141416431
1-(1-methylpyrazol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 78948033

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 157038474) is 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cccnc1CNc1ccn2nc(-c3ccco3)c(C#N)c2n1.
What is the InChIKey of 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is BEIGCMLBKSHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-12-4-2-7-20-14(12)11-21-16-6-8-24-18(22-16)13(10-19)17(23-24)15-5-3-9-25-15/h2-9H,11H2,1H3,(H,21,22).
What are the key properties of 2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-(furan-2-yl)-5-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 330.35 g/mol, XLogP of 3.18, 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-[(3-methyl-2-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 157038474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).