7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C26H26FN5O3 — CID 66604281

IUPAC7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCC(N(C)C)C5)ccc4c3n2)cc1F
InChIInChI=1S/C26H26FN5O3/c1-31(2)16-8-9-32(13-16)26(34)15-4-6-17-21(11-15)30-24-18(25(28)33)12-20(29-23(17)24)14-5-7-22(35-3)19(27)10-14/h4-7,10-12,16,30H,8-9,13H2,1-3H3,(H2,28,33)
InChIKeyATCXXMLALHMFSQ-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.41
Rot. Bonds5

About 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide

7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604281) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604281
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCC(N(C)C)C5)ccc4c3n2)cc1F
InChIInChI=1S/C26H26FN5O3/c1-31(2)16-8-9-32(13-16)26(34)15-4-6-17-21(11-15)30-24-18(25(28)33)12-20(29-23(17)24)14-5-7-22(35-3)19(27)10-14/h4-7,10-12,16,30H,8-9,13H2,1-3H3,(H2,28,33)
InChIKeyATCXXMLALHMFSQ-UHFFFAOYSA-N
XLogP3.41
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide with MolForge

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604954
2-(3-chloro-4-fluorophenyl)-7-(4-methyl-1,4-diazepane-1-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604393
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
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
7-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605216
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 90639726
2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604515
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
(3-fluoro-4-methoxyphenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815865
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 119100344
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51928971

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604281) is 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide is COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCC(N(C)C)C5)ccc4c3n2)cc1F.
What is the InChIKey of 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is ATCXXMLALHMFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-31(2)16-8-9-32(13-16)26(34)15-4-6-17-21(11-15)30-24-18(25(28)33)12-20(29-23(17)24)14-5-7-22(35-3)19(27)10-14/h4-7,10-12,16,30H,8-9,13H2,1-3H3,(H2,28,33).
What are the key properties of 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).