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

C22H26N6O — CID 166070081

IUPAC7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)Nc1c(C(=O)NCCC2CCNC2)cnc2c1[nH]c1cc(C#N)ccc12
InChIInChI=1S/C22H26N6O/c1-13(2)27-20-17(22(29)25-8-6-14-5-7-24-11-14)12-26-19-16-4-3-15(10-23)9-18(16)28-21(19)20/h3-4,9,12-14,24,28H,5-8,11H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyDXVOIROMKYILTR-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.14
Rot. Bonds6

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

7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide (PubChem CID 166070081) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide.

Molecular Properties

Compound Name7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide
PubChem CID166070081
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide
SMILESCC(C)Nc1c(C(=O)NCCC2CCNC2)cnc2c1[nH]c1cc(C#N)ccc12
InChIInChI=1S/C22H26N6O/c1-13(2)27-20-17(22(29)25-8-6-14-5-7-24-11-14)12-26-19-16-4-3-15(10-23)9-18(16)28-21(19)20/h3-4,9,12-14,24,28H,5-8,11H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyDXVOIROMKYILTR-UHFFFAOYSA-N
XLogP3.14
TPSA105.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

FG-7142
CID 4375
indole-based 6-membered lactam, (R)-4a
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1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
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1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide
CID 44479711
5-[2-[4-[2-(1~{h}-Indol-3-Yl)ethyl]piperazin-1-Yl]phenyl]-~{n}-(3-Pyrrolidin-1-Ylpropyl)pyridine-3-Carboxamide
CID 122705799
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrazin-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280236
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958908
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
(4-isopropylpiperazin-1-yl)(3-(piperidin-1-ylmethyl)-1H-indol-6-yl)methanone
CID 25061924

Frequently Asked Questions

What is the IUPAC name of 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The IUPAC name of 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide (CID 166070081) is 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide.
What is the SMILES notation for 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The canonical SMILES for 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide is CC(C)Nc1c(C(=O)NCCC2CCNC2)cnc2c1[nH]c1cc(C#N)ccc12.
What is the InChIKey of 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
The InChIKey is DXVOIROMKYILTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-13(2)27-20-17(22(29)25-8-6-14-5-7-24-11-14)12-26-19-16-4-3-15(10-23)9-18(16)28-21(19)20/h3-4,9,12-14,24,28H,5-8,11H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide?
7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-4-(propan-2-ylamino)-N-(2-pyrrolidin-3-ylethyl)-5H-pyrido[3,2-b]indole-3-carboxamide is sourced from PubChem (CID 166070081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).