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

C19H16F3N5O2 — CID 166070112

IUPAC7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESN#Cc1ccc2c(c1)[nH]c1c(NC3COC3)c(C(=O)NCCC(F)(F)F)cnc12
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)3-4-24-18(28)13-7-25-15-12-2-1-10(6-23)5-14(12)27-17(15)16(13)26-11-8-29-9-11/h1-2,5,7,11,27H,3-4,8-9H2,(H,24,28)(H,25,26)
InChIKeyMOILOAKVCPPHQP-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.08
Rot. Bonds5

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

7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide (PubChem CID 166070112) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide.

Molecular Properties

Compound Name7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide
PubChem CID166070112
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESN#Cc1ccc2c(c1)[nH]c1c(NC3COC3)c(C(=O)NCCC(F)(F)F)cnc12
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)3-4-24-18(28)13-7-25-15-12-2-1-10(6-23)5-14(12)27-17(15)16(13)26-11-8-29-9-11/h1-2,5,7,11,27H,3-4,8-9H2,(H,24,28)(H,25,26)
InChIKeyMOILOAKVCPPHQP-UHFFFAOYSA-N
XLogP3.08
TPSA102.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-cyano-N-(3-hydroxy-3-methylbutyl)-4-(oxolan-3-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693458
7-cyano-4-(cyclopropylmethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166070090
7-cyano-4-(1-cyclopropylethylamino)-N-(3-hydroxy-3-methylbutyl)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693642
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-[(3S)-3-cyclopropyl-3-hydroxypropyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693647
7-cyano-N-(3-hydroxycyclobutyl)-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166707759
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-[(1,1-dihydroxythiolan-3-yl)methyl]-4-(propan-2-ylamino)-5H-pyrido[3,2-b]indole-3-carboxamide
CID 166693839
7-cyano-N-(3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)-[1,4]benzodioxino[3,2-b]pyridine-3-carboxamide
CID 156822645
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
N-[(4-cyanophenyl)methyl]-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69007349
7-cyano-3-(cyclopropylamino)-N-(3-hydroxycyclobutyl)-5H-pyrido[3,2-b]indole-2-carboxamide
CID 175871047

Frequently Asked Questions

What is the IUPAC name of 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The IUPAC name of 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide (CID 166070112) is 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide.
What is the SMILES notation for 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The canonical SMILES for 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide is N#Cc1ccc2c(c1)[nH]c1c(NC3COC3)c(C(=O)NCCC(F)(F)F)cnc12.
What is the InChIKey of 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The InChIKey is MOILOAKVCPPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)3-4-24-18(28)13-7-25-15-12-2-1-10(6-23)5-14(12)27-17(15)16(13)26-11-8-29-9-11/h1-2,5,7,11,27H,3-4,8-9H2,(H,24,28)(H,25,26).
What are the key properties of 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-4-(oxetan-3-ylamino)-N-(3,3,3-trifluoropropyl)-5H-pyrido[3,2-b]indole-3-carboxamide is sourced from PubChem (CID 166070112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).