2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile

C25H15Cl2N3OS — CID 101490775

IUPAC2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)c2sc3ccc(Cl)cc3c(=O)c2C1c1ccc(Cl)cc1
InChIInChI=1S/C25H15Cl2N3OS/c26-15-8-6-14(7-9-15)21-19(13-28)24(29)30(17-4-2-1-3-5-17)25-22(21)23(31)18-12-16(27)10-11-20(18)32-25/h1-12,21H,29H2
InChIKeyDHXNVTCRGXUIEQ-UHFFFAOYSA-N
MW476.39 g/mol
LogP6.55
Rot. Bonds2

About 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile

2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 101490775) has the molecular formula C25H15Cl2N3OS and a molecular weight of 476.39 g/mol. Its IUPAC name is 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID101490775
Molecular FormulaC25H15Cl2N3OS
Molecular Weight476.39 g/mol
Exact Mass475.03
IUPAC Name2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)c2sc3ccc(Cl)cc3c(=O)c2C1c1ccc(Cl)cc1
InChIInChI=1S/C25H15Cl2N3OS/c26-15-8-6-14(7-9-15)21-19(13-28)24(29)30(17-4-2-1-3-5-17)25-22(21)23(31)18-12-16(27)10-11-20(18)32-25/h1-12,21H,29H2
InChIKeyDHXNVTCRGXUIEQ-UHFFFAOYSA-N
XLogP6.55
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.39
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-amino-3-(4-chlorophenyl)-3,5-dihydropyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
CID 911388
N-[(3R,4R)-4-(4-chlorophenyl)-2,5-dioxo-1-phenyl-3,4-dihydrothiochromeno[2,3-b]pyridin-3-yl]benzamide
CID 24814396
2-amino-5-oxo-4-phenyl-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
CID 4915894
dimethyl 6-amino-1-(4-chloro-2-methoxycarbonylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645484
(4S)-6-amino-1-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 983486
5-amino-6-cyano-N-methyl-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 15828810
(4S)-2-amino-4-(3-chlorophenyl)-5-oxo-4H-pyrano[2,3-b]chromene-3-carbonitrile
CID 1261430
6-amino-8-(2,4-dichlorophenyl)-4-oxo-3,8-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7,9-dicarbonitrile
CID 17273393
2-amino-4-(4-chlorophenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 3898306
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23903725
dimethyl 6-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644245
(4S)-2-amino-4-(4-bromothiophen-2-yl)-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1041191

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile (CID 101490775) is 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile is N#CC1=C(N)N(c2ccccc2)c2sc3ccc(Cl)cc3c(=O)c2C1c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is DHXNVTCRGXUIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2N3OS/c26-15-8-6-14(7-9-15)21-19(13-28)24(29)30(17-4-2-1-3-5-17)25-22(21)23(31)18-12-16(27)10-11-20(18)32-25/h1-12,21H,29H2.
What are the key properties of 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile?
2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 476.39 g/mol, XLogP of 6.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-chloro-4-(4-chlorophenyl)-5-oxo-1-phenyl-4H-thiochromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 101490775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).