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

C16H15N7 — CID 126947907

IUPAC1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1nc(N2CCC(n3cc(C#N)cn3)C2)c2ccncc2n1
InChIInChI=1S/C16H15N7/c1-11-20-15-8-18-4-2-14(15)16(21-11)22-5-3-13(10-22)23-9-12(6-17)7-19-23/h2,4,7-9,13H,3,5,10H2,1H3
InChIKeyOPNPXGZBOIMRRE-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.85
Rot. Bonds2

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

1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947907) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947907
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1nc(N2CCC(n3cc(C#N)cn3)C2)c2ccncc2n1
InChIInChI=1S/C16H15N7/c1-11-20-15-8-18-4-2-14(15)16(21-11)22-5-3-13(10-22)23-9-12(6-17)7-19-23/h2,4,7-9,13H,3,5,10H2,1H3
InChIKeyOPNPXGZBOIMRRE-UHFFFAOYSA-N
XLogP1.85
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947693
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717
1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947830
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900886
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 163356545
2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163356963
3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126947553
3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154853548
2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126947868
1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile
CID 105491775
1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947839

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947907) is 1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is Cc1nc(N2CCC(n3cc(C#N)cn3)C2)c2ccncc2n1.
What is the InChIKey of 1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is OPNPXGZBOIMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-11-20-15-8-18-4-2-14(15)16(21-11)22-5-3-13(10-22)23-9-12(6-17)7-19-23/h2,4,7-9,13H,3,5,10H2,1H3.
What are the key properties of 1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 305.35 g/mol, XLogP of 1.85, 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[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).