7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide

C20H21N5O2 — CID 166707759

IUPAC7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)Nc1c(C(=O)NC2CC(O)C2)cnc2c1[nH]c1cc(C#N)ccc12
InChIInChI=1S/C20H21N5O2/c1-10(2)23-18-15(20(27)24-12-6-13(26)7-12)9-22-17-14-4-3-11(8-21)5-16(14)25-19(17)18/h3-5,9-10,12-13,25-26H,6-7H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyYIRQVHOQGYZTLR-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.66
Rot. Bonds4

About 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide

7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide (PubChem CID 166707759) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide.

Molecular Properties

Compound Name7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
PubChem CID166707759
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)Nc1c(C(=O)NC2CC(O)C2)cnc2c1[nH]c1cc(C#N)ccc12
InChIInChI=1S/C20H21N5O2/c1-10(2)23-18-15(20(27)24-12-6-13(26)7-12)9-22-17-14-4-3-11(8-21)5-16(14)25-19(17)18/h3-5,9-10,12-13,25-26H,6-7H2,1-2H3,(H,22,23)(H,24,27)
InChIKeyYIRQVHOQGYZTLR-UHFFFAOYSA-N
XLogP2.66
TPSA113.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide with MolForge

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Related Compounds

7-cyano-N-[(3S)-3-cyclopropyl-3-hydroxypropyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693647
7-cyano-N-[(1,1-dihydroxythiolan-3-yl)methyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693839
7-cyano-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693625
7-cyano-4-(1-cyclopropylethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693642
N-(3-aminocyclobutyl)-7-cyano-2-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 175871048
7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166070090
7-cyano-4-[(3,3-difluorocyclobutyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166070099
7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166070112
7-cyano-N-(3-hydroxy-3-methylbutyl)-4-(oxolan-3-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693458
7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide
CID 175871047
6-cyano-4-(propan-2-ylamino)-9H-pyrido[2,3-b]indole-3-carboxylic acid
CID 166070085
N-(4-acetamidocyclohexyl)-6-(5-cyano-3-pyridinyl)-4-(propan-2-ylamino)-1,5-naphthyridine-3-carboxamide
CID 155782052

Frequently Asked Questions

What is the IUPAC name of 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide?
The IUPAC name of 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide (CID 166707759) is 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide.
What is the SMILES notation for 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide?
The canonical SMILES for 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide is CC(C)Nc1c(C(=O)NC2CC(O)C2)cnc2c1[nH]c1cc(C#N)ccc12.
What is the InChIKey of 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide?
The InChIKey is YIRQVHOQGYZTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-10(2)23-18-15(20(27)24-12-6-13(26)7-12)9-22-17-14-4-3-11(8-21)5-16(14)25-19(17)18/h3-5,9-10,12-13,25-26H,6-7H2,1-2H3,(H,22,23)(H,24,27).
What are the key properties of 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide?
7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide is sourced from PubChem (CID 166707759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).