(4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine

C40H34N6 — CID 139076438

IUPAC(4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine
SMILESc1ccc(C2=Nc3cccnc3N[C@@H](c3ccccc3)C2)cc1.c1ccc(C2=Nc3cccnc3N[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/2C20H17N3/c2*1-3-8-15(9-4-1)18-14-19(16-10-5-2-6-11-16)23-20-17(22-18)12-7-13-21-20/h2*1-13,19H,14H2,(H,21,23)/t2*19-/m10/s1
InChIKeyNDLYTLZHLHSWKE-OYPHMNEHSA-N
MW598.75 g/mol
LogP9.52
Rot. Bonds4

About (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine

(4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine (PubChem CID 139076438) has the molecular formula C40H34N6 and a molecular weight of 598.75 g/mol. Its IUPAC name is (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine.

Molecular Properties

Compound Name(4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine
PubChem CID139076438
Molecular FormulaC40H34N6
Molecular Weight598.75 g/mol
Exact Mass598.28
IUPAC Name(4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine
SMILESc1ccc(C2=Nc3cccnc3N[C@@H](c3ccccc3)C2)cc1.c1ccc(C2=Nc3cccnc3N[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/2C20H17N3/c2*1-3-8-15(9-4-1)18-14-19(16-10-5-2-6-11-16)23-20-17(22-18)12-7-13-21-20/h2*1-13,19H,14H2,(H,21,23)/t2*19-/m10/s1
InChIKeyNDLYTLZHLHSWKE-OYPHMNEHSA-N
XLogP9.52
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

WZ 811
CID 11565518
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
8-Methyl-6-(4-methyl-1-piperazinyl)-11H-pyrido(2,3-b)(1,4)benzodiazepine
CID 3802
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
N'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
CID 66556536
N1-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)pyridin-3-Yl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91808031
4-Methyl-6-(2-(5-(4-Methylpiperazin-1-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057273
JNJ525 TFA salt
CID 124222736
N~3~-(3-Pyridin-3-ylbenzyl)pyridine-2,3-diamine
CID 11701820
2-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11584530
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine?
The IUPAC name of (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine (CID 139076438) is (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine.
What is the SMILES notation for (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine?
The canonical SMILES for (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine is c1ccc(C2=Nc3cccnc3N[C@@H](c3ccccc3)C2)cc1.c1ccc(C2=Nc3cccnc3N[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine?
The InChIKey is NDLYTLZHLHSWKE-OYPHMNEHSA-N. The full InChI is InChI=1S/2C20H17N3/c2*1-3-8-15(9-4-1)18-14-19(16-10-5-2-6-11-16)23-20-17(22-18)12-7-13-21-20/h2*1-13,19H,14H2,(H,21,23)/t2*19-/m10/s1.
What are the key properties of (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine?
(4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine has a molecular weight of 598.75 g/mol, XLogP of 9.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine;(4S)-2,4-diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine is sourced from PubChem (CID 139076438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).