2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C23H17ClN6O — CID 171351393

IUPAC2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1cc(C2=C(C#N)C(c3ccc(Cl)cc3)c3c(nc(N)[nH]c3=O)N2)c2ccccc21
InChIInChI=1S/C23H17ClN6O/c1-30-11-16(14-4-2-3-5-17(14)30)20-15(10-25)18(12-6-8-13(24)9-7-12)19-21(27-20)28-23(26)29-22(19)31/h2-9,11,18H,1H3,(H4,26,27,28,29,31)
InChIKeyIFXQCNDAXOAHAK-UHFFFAOYSA-N
MW428.88 g/mol
LogP3.99
Rot. Bonds2

About 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile

2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 171351393) has the molecular formula C23H17ClN6O and a molecular weight of 428.88 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID171351393
Molecular FormulaC23H17ClN6O
Molecular Weight428.88 g/mol
Exact Mass428.12
IUPAC Name2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1cc(C2=C(C#N)C(c3ccc(Cl)cc3)c3c(nc(N)[nH]c3=O)N2)c2ccccc21
InChIInChI=1S/C23H17ClN6O/c1-30-11-16(14-4-2-3-5-17(14)30)20-15(10-25)18(12-6-8-13(24)9-7-12)19-21(27-20)28-23(26)29-22(19)31/h2-9,11,18H,1H3,(H4,26,27,28,29,31)
InChIKeyIFXQCNDAXOAHAK-UHFFFAOYSA-N
XLogP3.99
TPSA112.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 171351393) is 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile is Cn1cc(C2=C(C#N)C(c3ccc(Cl)cc3)c3c(nc(N)[nH]c3=O)N2)c2ccccc21.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is IFXQCNDAXOAHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O/c1-30-11-16(14-4-2-3-5-17(14)30)20-15(10-25)18(12-6-8-13(24)9-7-12)19-21(27-20)28-23(26)29-22(19)31/h2-9,11,18H,1H3,(H4,26,27,28,29,31).
What are the key properties of 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 428.88 g/mol, XLogP of 3.99, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)-7-(1-methylindol-3-yl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 171351393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).