8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide

C16H15FN4O — CID 23582565

IUPAC8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C16H15FN4O/c17-9-3-4-12-10(7-9)13-14(20-12)11(15(18)22)8-19-16(13)21-5-1-2-6-21/h3-4,7-8,20H,1-2,5-6H2,(H2,18,22)
InChIKeySJSWGFWLFRARFJ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.55
Rot. Bonds2

About 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide

8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582565) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582565
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(N2CCCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C16H15FN4O/c17-9-3-4-12-10(7-9)13-14(20-12)11(15(18)22)8-19-16(13)21-5-1-2-6-21/h3-4,7-8,20H,1-2,5-6H2,(H2,18,22)
InChIKeySJSWGFWLFRARFJ-UHFFFAOYSA-N
XLogP2.55
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Alosetron
CID 2099
Alosetron Hydrochloride
CID 60758
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453391
7-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-(1h-Indol-7-Ylamino)pyrido[4,3-D]pyrimidin-4(3h)-One
CID 135566923
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-2-(1H-indol-3-yl)-5-methyl-
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Indole naphthyridinone 30
CID 6539897
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
5-{[(2s)-2-Aminopropyl]amino}-3-(1h-Indol-2-Yl)pyrazine-2-Carboxamide
CID 118368188
6-[2-((E)-Styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135441367
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582565) is 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(N2CCCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is SJSWGFWLFRARFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-9-3-4-12-10(7-9)13-14(20-12)11(15(18)22)8-19-16(13)21-5-1-2-6-21/h3-4,7-8,20H,1-2,5-6H2,(H2,18,22).
What are the key properties of 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).