7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide

C22H24FN5O2 — CID 166070118

IUPAC7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc2c([nH]c3cc(C#N)ccc32)c1NC1CCC1
InChIInChI=1S/C22H24FN5O2/c1-22(2,30)17(23)11-26-21(29)15-10-25-18-14-7-6-12(9-24)8-16(14)28-20(18)19(15)27-13-4-3-5-13/h6-8,10,13,17,28,30H,3-5,11H2,1-2H3,(H,25,27)(H,26,29)/t17-/m1/s1
InChIKeyIHQKBSAOYFHQFD-QGZVFWFLSA-N
MW409.47 g/mol
LogP3.39
Rot. Bonds6

About 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide

7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide (PubChem CID 166070118) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide.

Molecular Properties

Compound Name7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide
PubChem CID166070118
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc2c([nH]c3cc(C#N)ccc32)c1NC1CCC1
InChIInChI=1S/C22H24FN5O2/c1-22(2,30)17(23)11-26-21(29)15-10-25-18-14-7-6-12(9-24)8-16(14)28-20(18)19(15)27-13-4-3-5-13/h6-8,10,13,17,28,30H,3-5,11H2,1-2H3,(H,25,27)(H,26,29)/t17-/m1/s1
InChIKeyIHQKBSAOYFHQFD-QGZVFWFLSA-N
XLogP3.39
TPSA113.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide with MolForge

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Related Compounds

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US10618903, Example 193
CID 124157904
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(pyridin-3-ylamino)nicotinamide
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6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(((1r,3R)-3-((4-cyclo-propyl-1H-1,2,3-triazol-1-yl)methyl)cyclobutyl) amino)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
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Frequently Asked Questions

What is the IUPAC name of 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide?
The IUPAC name of 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide (CID 166070118) is 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide.
What is the SMILES notation for 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide?
The canonical SMILES for 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc2c([nH]c3cc(C#N)ccc32)c1NC1CCC1.
What is the InChIKey of 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide?
The InChIKey is IHQKBSAOYFHQFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-22(2,30)17(23)11-26-21(29)15-10-25-18-14-7-6-12(9-24)8-16(14)28-20(18)19(15)27-13-4-3-5-13/h6-8,10,13,17,28,30H,3-5,11H2,1-2H3,(H,25,27)(H,26,29)/t17-/m1/s1.
What are the key properties of 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide?
7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide is sourced from PubChem (CID 166070118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).