6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide

C20H27ClN6O — CID 123983333

IUPAC6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide
SMILESCCC1C=CCC(C(N)=O)C1Nc1c(Cl)cnc2nc(C3CCCNC3)[nH]c12
InChIInChI=1S/C20H27ClN6O/c1-2-11-5-3-7-13(18(22)28)15(11)25-16-14(21)10-24-20-17(16)26-19(27-20)12-6-4-8-23-9-12/h3,5,10-13,15,23H,2,4,6-9H2,1H3,(H2,22,28)(H2,24,25,26,27)
InChIKeyHJHBFQFJYYFPEA-UHFFFAOYSA-N
MW402.93 g/mol
LogP2.95
Rot. Bonds5

About 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide

6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide (PubChem CID 123983333) has the molecular formula C20H27ClN6O and a molecular weight of 402.93 g/mol. Its IUPAC name is 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide
PubChem CID123983333
Molecular FormulaC20H27ClN6O
Molecular Weight402.93 g/mol
Exact Mass402.19
IUPAC Name6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide
SMILESCCC1C=CCC(C(N)=O)C1Nc1c(Cl)cnc2nc(C3CCCNC3)[nH]c12
InChIInChI=1S/C20H27ClN6O/c1-2-11-5-3-7-13(18(22)28)15(11)25-16-14(21)10-24-20-17(16)26-19(27-20)12-6-4-8-23-9-12/h3,5,10-13,15,23H,2,4,6-9H2,1H3,(H2,22,28)(H2,24,25,26,27)
InChIKeyHJHBFQFJYYFPEA-UHFFFAOYSA-N
XLogP2.95
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide (CID 123983333) is 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide is CCC1C=CCC(C(N)=O)C1Nc1c(Cl)cnc2nc(C3CCCNC3)[nH]c12.
What is the InChIKey of 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide?
The InChIKey is HJHBFQFJYYFPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN6O/c1-2-11-5-3-7-13(18(22)28)15(11)25-16-14(21)10-24-20-17(16)26-19(27-20)12-6-4-8-23-9-12/h3,5,10-13,15,23H,2,4,6-9H2,1H3,(H2,22,28)(H2,24,25,26,27).
What are the key properties of 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide?
6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide has a molecular weight of 402.93 g/mol, XLogP of 2.95, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-7-yl)amino]-5-ethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 123983333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).