3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide

C28H28Cl2N4O2 — CID 10324476

IUPAC3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide
SMILESO=C(NC(COCC1CCN(c2ccncc2)CC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C28H28Cl2N4O2/c29-24-4-2-1-3-22(24)27(33-28(35)20-5-6-23-25(30)16-32-26(23)15-20)18-36-17-19-9-13-34(14-10-19)21-7-11-31-12-8-21/h1-8,11-12,15-16,19,27,32H,9-10,13-14,17-18H2,(H,33,35)
InChIKeyDPZMOLHCLHNTCX-UHFFFAOYSA-N
MW523.46 g/mol
LogP6.27
Rot. Bonds8

About 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide

3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide (PubChem CID 10324476) has the molecular formula C28H28Cl2N4O2 and a molecular weight of 523.46 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide
PubChem CID10324476
Molecular FormulaC28H28Cl2N4O2
Molecular Weight523.46 g/mol
Exact Mass522.16
IUPAC Name3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide
SMILESO=C(NC(COCC1CCN(c2ccncc2)CC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C28H28Cl2N4O2/c29-24-4-2-1-3-22(24)27(33-28(35)20-5-6-23-25(30)16-32-26(23)15-20)18-36-17-19-9-13-34(14-10-19)21-7-11-31-12-8-21/h1-8,11-12,15-16,19,27,32H,9-10,13-14,17-18H2,(H,33,35)
InChIKeyDPZMOLHCLHNTCX-UHFFFAOYSA-N
XLogP6.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.46
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide (CID 10324476) is 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide is O=C(NC(COCC1CCN(c2ccncc2)CC1)c1ccccc1Cl)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide?
The InChIKey is DPZMOLHCLHNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O2/c29-24-4-2-1-3-22(24)27(33-28(35)20-5-6-23-25(30)16-32-26(23)15-20)18-36-17-19-9-13-34(14-10-19)21-7-11-31-12-8-21/h1-8,11-12,15-16,19,27,32H,9-10,13-14,17-18H2,(H,33,35).
What are the key properties of 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide?
3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide has a molecular weight of 523.46 g/mol, XLogP of 6.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-chlorophenyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 10324476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).