2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C25H23ClFN5O2 — CID 66604393

IUPAC2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN1CCCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(F)c(Cl)c4)nc23)CC1
InChIInChI=1S/C25H23ClFN5O2/c1-31-7-2-8-32(10-9-31)25(34)15-3-5-16-21(12-15)30-23-17(24(28)33)13-20(29-22(16)23)14-4-6-19(27)18(26)11-14/h3-6,11-13,30H,2,7-10H2,1H3,(H2,28,33)
InChIKeyBVJARACUCVXKDW-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.05
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604393) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604393
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN1CCCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(F)c(Cl)c4)nc23)CC1
InChIInChI=1S/C25H23ClFN5O2/c1-31-7-2-8-32(10-9-31)25(34)15-3-5-16-21(12-15)30-23-17(24(28)33)13-20(29-22(16)23)14-4-6-19(27)18(26)11-14/h3-6,11-13,30H,2,7-10H2,1H3,(H2,28,33)
InChIKeyBVJARACUCVXKDW-UHFFFAOYSA-N
XLogP4.05
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenyl)-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66612487
2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 89054047
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604281
4-amino-3-fluoro-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 145069415
7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605216
7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605031
4-(4-tert-butylphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 122191233
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
2-(3-ethylphenyl)-7-[(1-methylpiperidin-4-yl)amino]-5H-pyrido[3,2-b]indole-4-carboxamide
CID 90726434
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 50848041
2-(4-chlorophenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604854
methyl 4-[2-[4-(4-carbamoyl-7-morpholin-4-yl-5H-pyrido[3,2-b]indol-2-yl)-2-chlorophenoxy]ethyl]piperazine-1-carboxylate
CID 66614365

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604393) is 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is CN1CCCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(F)c(Cl)c4)nc23)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is BVJARACUCVXKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c1-31-7-2-8-32(10-9-31)25(34)15-3-5-16-21(12-15)30-23-17(24(28)33)13-20(29-22(16)23)14-4-6-19(27)18(26)11-14/h3-6,11-13,30H,2,7-10H2,1H3,(H2,28,33).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 479.94 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).