4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine

C26H34ClN5O2 — CID 144974958

IUPAC4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine
SMILESCCCN1CCOCC1.NC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C19H19ClN4O.C7H15NO/c20-14-1-3-15(4-2-14)24-12-17(16-5-8-22-11-18(16)24)13-6-9-23(10-7-13)19(21)25;1-2-3-8-4-6-9-7-5-8/h1-5,8,11-13H,6-7,9-10H2,(H2,21,25);2-7H2,1H3
InChIKeyZQUYTXVUPMKVKL-UHFFFAOYSA-N
MW484.04 g/mol
LogP4.67
Rot. Bonds4

About 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine (PubChem CID 144974958) has the molecular formula C26H34ClN5O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine
PubChem CID144974958
Molecular FormulaC26H34ClN5O2
Molecular Weight484.04 g/mol
Exact Mass483.24
IUPAC Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine
SMILESCCCN1CCOCC1.NC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C19H19ClN4O.C7H15NO/c20-14-1-3-15(4-2-14)24-12-17(16-5-8-22-11-18(16)24)13-6-9-23(10-7-13)19(21)25;1-2-3-8-4-6-9-7-5-8/h1-5,8,11-13H,6-7,9-10H2,(H2,21,25);2-7H2,1H3
InChIKeyZQUYTXVUPMKVKL-UHFFFAOYSA-N
XLogP4.67
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 159829945
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 71516439
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 89451467
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 90413829
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
CID 145325570
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 71516373
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide
CID 144553308
4-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;5-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]pentan-1-one;3-aminopropyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(dimethylamino)butan-1-one;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanamine
CID 158915977
4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 90421918
2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
CID 157217898
2-amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;4-[1-(4-chloro-2-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]cyclohexan-1-amine;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone;hydrochloride
CID 160517458
N-(1-acetylpiperidin-4-yl)-4-[1-(2-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;1-(4-chlorophenyl)-3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-methylpiperazine
CID 129217021

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine (CID 144974958) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine is CCCN1CCOCC1.NC(=O)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine?
The InChIKey is ZQUYTXVUPMKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O.C7H15NO/c20-14-1-3-15(4-2-14)24-12-17(16-5-8-22-11-18(16)24)13-6-9-23(10-7-13)19(21)25;1-2-3-8-4-6-9-7-5-8/h1-5,8,11-13H,6-7,9-10H2,(H2,21,25);2-7H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine?
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine has a molecular weight of 484.04 g/mol, XLogP of 4.67, 4 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]piperidine-1-carboxamide;4-propylmorpholine is sourced from PubChem (CID 144974958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).