4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide

C28H36ClN5O2 — CID 71516441

IUPAC4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1
InChIInChI=1S/C28H36ClN5O2/c1-36-17-16-32-12-7-21(8-13-32)18-31-28(35)33-14-9-22(10-15-33)26-20-34(24-4-2-23(29)3-5-24)27-19-30-11-6-25(26)27/h2-6,11,19-22H,7-10,12-18H2,1H3,(H,31,35)
InChIKeyMFAIPYRSADWPLU-UHFFFAOYSA-N
MW510.08 g/mol
LogP4.93
Rot. Bonds7

About 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide (PubChem CID 71516441) has the molecular formula C28H36ClN5O2 and a molecular weight of 510.08 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
PubChem CID71516441
Molecular FormulaC28H36ClN5O2
Molecular Weight510.08 g/mol
Exact Mass509.26
IUPAC Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1
InChIInChI=1S/C28H36ClN5O2/c1-36-17-16-32-12-7-21(8-13-32)18-31-28(35)33-14-9-22(10-15-33)26-20-34(24-4-2-23(29)3-5-24)27-19-30-11-6-25(26)27/h2-6,11,19-22H,7-10,12-18H2,1H3,(H,31,35)
InChIKeyMFAIPYRSADWPLU-UHFFFAOYSA-N
XLogP4.93
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.08
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide (CID 71516441) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide is COCCN1CCC(CNC(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
The InChIKey is MFAIPYRSADWPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN5O2/c1-36-17-16-32-12-7-21(8-13-32)18-31-28(35)33-14-9-22(10-15-33)26-20-34(24-4-2-23(29)3-5-24)27-19-30-11-6-25(26)27/h2-6,11,19-22H,7-10,12-18H2,1H3,(H,31,35).
What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide has a molecular weight of 510.08 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71516441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).