1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile

C15H13N7 — CID 126900886

IUPAC1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1nc(N2CC(n3cc(C#N)cn3)C2)c2cccnc2n1
InChIInChI=1S/C15H13N7/c1-10-19-14-13(3-2-4-17-14)15(20-10)21-8-12(9-21)22-7-11(5-16)6-18-22/h2-4,6-7,12H,8-9H2,1H3
InChIKeyGFWKKQGJKUUWTI-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.46
Rot. Bonds2

About 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile

1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126900886) has the molecular formula C15H13N7 and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126900886
Molecular FormulaC15H13N7
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1nc(N2CC(n3cc(C#N)cn3)C2)c2cccnc2n1
InChIInChI=1S/C15H13N7/c1-10-19-14-13(3-2-4-17-14)15(20-10)21-8-12(9-21)22-7-11(5-16)6-18-22/h2-4,6-7,12H,8-9H2,1H3
InChIKeyGFWKKQGJKUUWTI-UHFFFAOYSA-N
XLogP1.46
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile (CID 126900886) is 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile is Cc1nc(N2CC(n3cc(C#N)cn3)C2)c2cccnc2n1.
What is the InChIKey of 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is GFWKKQGJKUUWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7/c1-10-19-14-13(3-2-4-17-14)15(20-10)21-8-12(9-21)22-7-11(5-16)6-18-22/h2-4,6-7,12H,8-9H2,1H3.
What are the key properties of 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 291.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126900886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).