4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

C25H30ClN5O2 — CID 90412109

IUPAC4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C25H30ClN5O2/c26-20-1-3-21(4-2-20)31-18-23(22-5-8-27-17-24(22)31)19-6-10-30(11-7-19)25(32)28-9-12-29-13-15-33-16-14-29/h1-5,8,17-19H,6-7,9-16H2,(H,28,32)
InChIKeyKZSSZCOOFQJXJZ-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.90
Rot. Bonds5

About 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (PubChem CID 90412109) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
PubChem CID90412109
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
SMILESO=C(NCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C25H30ClN5O2/c26-20-1-3-21(4-2-20)31-18-23(22-5-8-27-17-24(22)31)19-6-10-30(11-7-19)25(32)28-9-12-29-13-15-33-16-14-29/h1-5,8,17-19H,6-7,9-16H2,(H,28,32)
InChIKeyKZSSZCOOFQJXJZ-UHFFFAOYSA-N
XLogP3.90
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.90
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-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (CID 90412109) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is O=C(NCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
The InChIKey is KZSSZCOOFQJXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c26-20-1-3-21(4-2-20)31-18-23(22-5-8-27-17-24(22)31)19-6-10-30(11-7-19)25(32)28-9-12-29-13-15-33-16-14-29/h1-5,8,17-19H,6-7,9-16H2,(H,28,32).
What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 3.90, 5 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-(2-morpholin-4-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90412109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).