1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide

C18H21FN4O — CID 23581859

IUPAC1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESC[C@H](Nc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12)C(C)(C)C
InChIInChI=1S/C18H21FN4O/c1-9(18(2,3)4)22-17-14-11-7-10(19)5-6-13(11)23-15(14)12(8-21-17)16(20)24/h5-9,23H,1-4H3,(H2,20,24)(H,21,22)/t9-/m0/s1
InChIKeyIIQLKSGKWYUBGL-VIFPVBQESA-N
MW328.39 g/mol
LogP3.80
Rot. Bonds3

About 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide

1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 23581859) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID23581859
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESC[C@H](Nc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12)C(C)(C)C
InChIInChI=1S/C18H21FN4O/c1-9(18(2,3)4)22-17-14-11-7-10(19)5-6-13(11)23-15(14)12(8-21-17)16(20)24/h5-9,23H,1-4H3,(H2,20,24)(H,21,22)/t9-/m0/s1
InChIKeyIIQLKSGKWYUBGL-VIFPVBQESA-N
XLogP3.80
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Motesanib
CID 11667893
Y-39983
CID 11507964
Acalisib
CID 11618268
Delavuridine
CID 72346
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
Fumiquinazoline F
CID 10089772
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-(3-(ethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-
CID 453217
Fiscalin B
CID 10091548
Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453391
1H-indol-2-yl-[4-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]methanone
CID 462952
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-c)pyridin-3-yl)-
CID 466848

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide (CID 23581859) is 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide is C[C@H](Nc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12)C(C)(C)C.
What is the InChIKey of 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is IIQLKSGKWYUBGL-VIFPVBQESA-N. The full InChI is InChI=1S/C18H21FN4O/c1-9(18(2,3)4)22-17-14-11-7-10(19)5-6-13(11)23-15(14)12(8-21-17)16(20)24/h5-9,23H,1-4H3,(H2,20,24)(H,21,22)/t9-/m0/s1.
What are the key properties of 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide?
1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 23581859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).