1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone

C26H30ClN5O2 — CID 10528709

IUPAC1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone
SMILESCCOCCn1cc(C(=O)CN2CCC(n3c(C)nc4cnccc43)CC2)c2c(Cl)cccc21
InChIInChI=1S/C26H30ClN5O2/c1-3-34-14-13-31-16-20(26-21(27)5-4-6-24(26)31)25(33)17-30-11-8-19(9-12-30)32-18(2)29-22-15-28-10-7-23(22)32/h4-7,10,15-16,19H,3,8-9,11-14,17H2,1-2H3
InChIKeyDMQDLJIUWGIRMN-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.90
Rot. Bonds8

About 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone

1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone (PubChem CID 10528709) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone
PubChem CID10528709
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone
SMILESCCOCCn1cc(C(=O)CN2CCC(n3c(C)nc4cnccc43)CC2)c2c(Cl)cccc21
InChIInChI=1S/C26H30ClN5O2/c1-3-34-14-13-31-16-20(26-21(27)5-4-6-24(26)31)25(33)17-30-11-8-19(9-12-30)32-18(2)29-22-15-28-10-7-23(22)32/h4-7,10,15-16,19H,3,8-9,11-14,17H2,1-2H3
InChIKeyDMQDLJIUWGIRMN-UHFFFAOYSA-N
XLogP4.90
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone (CID 10528709) is 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone is CCOCCn1cc(C(=O)CN2CCC(n3c(C)nc4cnccc43)CC2)c2c(Cl)cccc21.
What is the InChIKey of 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is DMQDLJIUWGIRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-3-34-14-13-31-16-20(26-21(27)5-4-6-24(26)31)25(33)17-30-11-8-19(9-12-30)32-18(2)29-22-15-28-10-7-23(22)32/h4-7,10,15-16,19H,3,8-9,11-14,17H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone?
1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 480.01 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-ethoxyethyl)indol-3-yl]-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 10528709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).