1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile

C25H23FN6 — CID 122685242

IUPAC1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile
SMILESCc1cc2c(C#N)cccc2n1-c1nc2c(c(NCc3cccc(F)c3)n1)N(C)CCC2
InChIInChI=1S/C25H23FN6/c1-16-12-20-18(14-27)7-4-10-22(20)32(16)25-29-21-9-5-11-31(2)23(21)24(30-25)28-15-17-6-3-8-19(26)13-17/h3-4,6-8,10,12-13H,5,9,11,15H2,1-2H3,(H,28,29,30)
InChIKeySFDRVHPPBBMOSD-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.73
Rot. Bonds4

About 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile

1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile (PubChem CID 122685242) has the molecular formula C25H23FN6 and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile
PubChem CID122685242
Molecular FormulaC25H23FN6
Molecular Weight426.50 g/mol
Exact Mass426.20
IUPAC Name1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile
SMILESCc1cc2c(C#N)cccc2n1-c1nc2c(c(NCc3cccc(F)c3)n1)N(C)CCC2
InChIInChI=1S/C25H23FN6/c1-16-12-20-18(14-27)7-4-10-22(20)32(16)25-29-21-9-5-11-31(2)23(21)24(30-25)28-15-17-6-3-8-19(26)13-17/h3-4,6-8,10,12-13H,5,9,11,15H2,1-2H3,(H,28,29,30)
InChIKeySFDRVHPPBBMOSD-UHFFFAOYSA-N
XLogP4.73
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile?
The IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile (CID 122685242) is 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile is Cc1cc2c(C#N)cccc2n1-c1nc2c(c(NCc3cccc(F)c3)n1)N(C)CCC2.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile?
The InChIKey is SFDRVHPPBBMOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6/c1-16-12-20-18(14-27)7-4-10-22(20)32(16)25-29-21-9-5-11-31(2)23(21)24(30-25)28-15-17-6-3-8-19(26)13-17/h3-4,6-8,10,12-13H,5,9,11,15H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile?
1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile has a molecular weight of 426.50 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methylamino]-5-methyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-2-yl]-2-methylindole-4-carbonitrile is sourced from PubChem (CID 122685242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).