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

C22H25N5O2 — CID 166070090

IUPAC7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnc2c([nH]c3cc(C#N)ccc32)c1NCC1CC1
InChIInChI=1S/C22H25N5O2/c1-22(2,29)7-8-24-21(28)16-12-26-18-15-6-5-14(10-23)9-17(15)27-20(18)19(16)25-11-13-3-4-13/h5-6,9,12-13,27,29H,3-4,7-8,11H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyQANXVGWPDOXBHU-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.30
Rot. Bonds7

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

7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide (PubChem CID 166070090) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide.

Molecular Properties

Compound Name7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
PubChem CID166070090
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cnc2c([nH]c3cc(C#N)ccc32)c1NCC1CC1
InChIInChI=1S/C22H25N5O2/c1-22(2,29)7-8-24-21(28)16-12-26-18-15-6-5-14(10-23)9-17(15)27-20(18)19(16)25-11-13-3-4-13/h5-6,9,12-13,27,29H,3-4,7-8,11H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyQANXVGWPDOXBHU-UHFFFAOYSA-N
XLogP3.30
TPSA113.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-cyano-4-(1-cyclopropylethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693642
7-cyano-N-(3-hydroxy-3-methylbutyl)-4-(oxolan-3-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693458
7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166070112
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-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-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-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166707759
7-cyano-N-(3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-[1,4]benzodioxino[3,2-b]pyridine-3-carboxamide
CID 156822645
3-(2-cyclopropylacetyl)-1H-indole-6-carbonitrile
CID 107916707
4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 144881731
6-cyano-N-(cyclohexylmethyl)-3-nitro-1H-indole-2-carboxamide
CID 146459814

Frequently Asked Questions

What is the IUPAC name of 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The IUPAC name of 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide (CID 166070090) is 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide.
What is the SMILES notation for 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The canonical SMILES for 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide is CC(C)(O)CCNC(=O)c1cnc2c([nH]c3cc(C#N)ccc32)c1NCC1CC1.
What is the InChIKey of 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The InChIKey is QANXVGWPDOXBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-22(2,29)7-8-24-21(28)16-12-26-18-15-6-5-14(10-23)9-17(15)27-20(18)19(16)25-11-13-3-4-13/h5-6,9,12-13,27,29H,3-4,7-8,11H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide is sourced from PubChem (CID 166070090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).