1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one

C27H33ClN4O2 — CID 159111864

IUPAC1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one
SMILESO=C(CCCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C27H33ClN4O2/c28-22-4-6-23(7-5-22)32-20-25(24-8-11-29-19-26(24)32)21-9-13-31(14-10-21)27(33)3-1-2-12-30-15-17-34-18-16-30/h4-8,11,19-21H,1-3,9-10,12-18H2
InChIKeyRQNNKAJPKGDOCX-UHFFFAOYSA-N
MW481.04 g/mol
LogP4.89
Rot. Bonds7

About 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one

1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one (PubChem CID 159111864) has the molecular formula C27H33ClN4O2 and a molecular weight of 481.04 g/mol. Its IUPAC name is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one
PubChem CID159111864
Molecular FormulaC27H33ClN4O2
Molecular Weight481.04 g/mol
Exact Mass480.23
IUPAC Name1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one
SMILESO=C(CCCCN1CCOCC1)N1CCC(c2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C27H33ClN4O2/c28-22-4-6-23(7-5-22)32-20-25(24-8-11-29-19-26(24)32)21-9-13-31(14-10-21)27(33)3-1-2-12-30-15-17-34-18-16-30/h4-8,11,19-21H,1-3,9-10,12-18H2
InChIKeyRQNNKAJPKGDOCX-UHFFFAOYSA-N
XLogP4.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.04
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10377753, Example 7
CID 124175877
US9580415, Example 6
CID 86268872
1-({4-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]phenyl}carbonyl)-4-methylpiperazine
CID 90417698
4-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1-methyl-1,2-dihydropyridin-2-one
CID 90421771
4-({5-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]pyridin-2-yl}methyl)morpholine
CID 90421791
6-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1-methyl-1,2-dihydropyridin-2-one
CID 90421841
4-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1-cyclopropyl-1,2-dihydropyridin-2-one
CID 90421869
4-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1-ethyl-1,2-dihydropyridin-2-one
CID 90421970
US10189838, Example 26-1
CID 117696733
US9580415, Example 2
CID 118576907
US11472805, Example 63
CID 124147943
US10377753, Example 5
CID 124175852

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one?
The IUPAC name of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one (CID 159111864) is 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one?
The canonical SMILES for 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one is O=C(CCCCN1CCOCC1)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]-5-morpholin-4-ylpentan-1-one?
The InChIKey is RQNNKAJPKGDOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O2/c28-22-4-6-23(7-5-22)32-20-25(24-8-11-29-19-26(24)32)21-9-13-31(14-10-21)27(33)3-1-2-12-30-15-17-34-18-16-30/h4-8,11,19-21H,1-3,9-10,12-18H2.
What are the key properties of 1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one?
1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-morpholin-4-ylpentan-1-one has a molecular weight of 481.04 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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]-5-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 159111864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).