ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole

C23H26N4 — CID 145029963

IUPACethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole
SMILESCC.c1cc(-c2ccnc3[nH]c4ccccc4c23)nc(C2CCNCC2)c1
InChIInChI=1S/C21H20N4.C2H6/c1-2-5-19-15(4-1)20-16(10-13-23-21(20)25-19)18-7-3-6-17(24-18)14-8-11-22-12-9-14;1-2/h1-7,10,13-14,22H,8-9,11-12H2,(H,23,25);1-2H3
InChIKeyYIWXKWDYNWUAOD-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.27
Rot. Bonds2

About ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole

ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole (PubChem CID 145029963) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Nameethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole
PubChem CID145029963
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Nameethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole
SMILESCC.c1cc(-c2ccnc3[nH]c4ccccc4c23)nc(C2CCNCC2)c1
InChIInChI=1S/C21H20N4.C2H6/c1-2-5-19-15(4-1)20-16(10-13-23-21(20)25-19)18-7-3-6-17(24-18)14-8-11-22-12-9-14;1-2/h1-7,10,13-14,22H,8-9,11-12H2,(H,23,25);1-2H3
InChIKeyYIWXKWDYNWUAOD-UHFFFAOYSA-N
XLogP5.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yl-6-(1H-pyrazol-5-yl)pyridine
CID 110095015
N-piperidin-4-yl-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388816
5-cyclobutyl-N-[(3R,4R)-3-methylpiperidin-4-yl]-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 118388134
4-[5-cyclobutyl-4-(1-oxidopiperazin-1-ium-1-yl)pyrido[3,4-d]pyrimidin-2-yl]-9H-pyrido[2,3-b]indole
CID 144884987
5-piperidin-4-yl-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114690
4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole
CID 118934591
(3R,5S)-5-[[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]azepan-3-ol
CID 118388689
N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-(9H-pyrido[2,3-b]indol-4-yl)-5-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-amine;ethane
CID 144934856
4-(5-cyclobutyl-4-methoxypyrido[3,4-d]pyrimidin-2-yl)-9H-pyrido[2,3-b]indole
CID 118388227
N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine
CID 144698247
4-bromo-9H-pyrido[2,3-b]indole
CID 90389488
1-piperidin-4-yl-9H-carbazole
CID 151051722

Frequently Asked Questions

What is the IUPAC name of ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole (CID 145029963) is ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole is CC.c1cc(-c2ccnc3[nH]c4ccccc4c23)nc(C2CCNCC2)c1.
What is the InChIKey of ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole?
The InChIKey is YIWXKWDYNWUAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4.C2H6/c1-2-5-19-15(4-1)20-16(10-13-23-21(20)25-19)18-7-3-6-17(24-18)14-8-11-22-12-9-14;1-2/h1-7,10,13-14,22H,8-9,11-12H2,(H,23,25);1-2H3.
What are the key properties of ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole?
ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole has a molecular weight of 358.49 g/mol, XLogP of 5.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(6-piperidin-4-yl-2-pyridinyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 145029963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).