1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone

C25H29ClN4O — CID 89443244

IUPAC1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C25H29ClN4O/c26-20-1-3-21(4-2-20)30-17-23(22-7-12-28-16-24(22)30)19-8-13-29(14-9-19)25(31)15-18-5-10-27-11-6-18/h1-4,7,12,16-19,27H,5-6,8-11,13-15H2
InChIKeyILJOUGBZJQRWFL-UHFFFAOYSA-N
MW436.99 g/mol
LogP4.77
Rot. Bonds4

About 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 89443244) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone
PubChem CID89443244
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C25H29ClN4O/c26-20-1-3-21(4-2-20)30-17-23(22-7-12-28-16-24(22)30)19-8-13-29(14-9-19)25(31)15-18-5-10-27-11-6-18/h1-4,7,12,16-19,27H,5-6,8-11,13-15H2
InChIKeyILJOUGBZJQRWFL-UHFFFAOYSA-N
XLogP4.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10668091
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CID 52947297
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(2-(pyridin-4-yl)ethyl)piperidine-4-carboxamide
CID 66571217
1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(3-(4-(3-chlorophenyl)-1-piperazinyl)-1-oxopropyl)-1-(3-pyridinyl)-
CID 365607
(E)-3-(3,4-dichlorophenyl)-1-[4-[[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 44534331
(E)-3-(3,4-dichlorophenyl)-1-[4-[2-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one;hydrochloride
CID 44534332
CXCR4 modulator-1
CID 92416899
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 127052937
8-[3-(1-Benzylindol-3-yl)-5-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 162657033
(2S)-N-(6-chloro-3-pyridinyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 162667278
1-[4-[13-Chloro-6-(ethylamino)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 10600539
(R)-1-(4-(1H-pyrrolo[3,2-b]pyridin-7-yl)piperazin-1-yl)-2-amino-3-(4-chlorophenyl)propan-1-one
CID 52949939

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone (CID 89443244) is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is ILJOUGBZJQRWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c26-20-1-3-21(4-2-20)30-17-23(22-7-12-28-16-24(22)30)19-8-13-29(14-9-19)25(31)15-18-5-10-27-11-6-18/h1-4,7,12,16-19,27H,5-6,8-11,13-15H2.
What are the key properties of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone?
1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 436.99 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 89443244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).