8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

C17H17FN4O2 — CID 23582701

IUPAC8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCOCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C17H17FN4O2/c18-9-1-2-13-11(7-9)14-15(22-13)12(16(19)23)8-20-17(14)21-10-3-5-24-6-4-10/h1-2,7-8,10,22H,3-6H2,(H2,19,23)(H,20,21)
InChIKeyIEMSSHYKEDNTPV-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.55
Rot. Bonds3

About 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide

8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23582701) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23582701
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cnc(NC2CCOCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C17H17FN4O2/c18-9-1-2-13-11(7-9)14-15(22-13)12(16(19)23)8-20-17(14)21-10-3-5-24-6-4-10/h1-2,7-8,10,22H,3-6H2,(H2,19,23)(H,20,21)
InChIKeyIEMSSHYKEDNTPV-UHFFFAOYSA-N
XLogP2.55
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134451950
Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453391
2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-5-(Phenylmethyl)-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480560
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-
CID 466843
Indole naphthyridinone 30
CID 6539897
5-{[(2s)-2-Aminopropyl]amino}-3-(1h-Indol-2-Yl)pyrazine-2-Carboxamide
CID 118368188
Pyrrolo-pyrimidone, 9
CID 135524117
2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide
CID 145996528
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-pyridyl)-1H-indole-7-carboxamide
CID 507860
7-(2-Aminopyrimidin-5-yl)-1-{[(1r)-1-cyclopropyl-2,2,2-trifluoroethyl]amino}-5h-pyrido[4,3-b]indole-4-carboxamide
CID 42622934
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635854

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23582701) is 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cnc(NC2CCOCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is IEMSSHYKEDNTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-9-1-2-13-11(7-9)14-15(22-13)12(16(19)23)8-20-17(14)21-10-3-5-24-6-4-10/h1-2,7-8,10,22H,3-6H2,(H2,19,23)(H,20,21).
What are the key properties of 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide?
8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(oxan-4-ylamino)-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23582701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).