4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide

C32H27ClN4O3 — CID 160659046

IUPAC4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
SMILESCc1c(-c2cnc(C(N)=O)c3c2-c2ccc(N4CCOCC4)cc2C3)cccc1N1Cc2ccc(Cl)cc2C1=O
InChIInChI=1S/C32H27ClN4O3/c1-18-23(3-2-4-28(18)37-17-19-5-6-21(33)15-25(19)32(37)39)27-16-35-30(31(34)38)26-14-20-13-22(7-8-24(20)29(26)27)36-9-11-40-12-10-36/h2-8,13,15-16H,9-12,14,17H2,1H3,(H2,34,38)
InChIKeyRLKUAFZZRSCUKO-UHFFFAOYSA-N
MW551.05 g/mol
LogP5.38
Rot. Bonds4

About 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide

4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide (PubChem CID 160659046) has the molecular formula C32H27ClN4O3 and a molecular weight of 551.05 g/mol. Its IUPAC name is 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
PubChem CID160659046
Molecular FormulaC32H27ClN4O3
Molecular Weight551.05 g/mol
Exact Mass550.18
IUPAC Name4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
SMILESCc1c(-c2cnc(C(N)=O)c3c2-c2ccc(N4CCOCC4)cc2C3)cccc1N1Cc2ccc(Cl)cc2C1=O
InChIInChI=1S/C32H27ClN4O3/c1-18-23(3-2-4-28(18)37-17-19-5-6-21(33)15-25(19)32(37)39)27-16-35-30(31(34)38)26-14-20-13-22(7-8-24(20)29(26)27)36-9-11-40-12-10-36/h2-8,13,15-16H,9-12,14,17H2,1H3,(H2,34,38)
InChIKeyRLKUAFZZRSCUKO-UHFFFAOYSA-N
XLogP5.38
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.05
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
CID 70651677
4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
CID 160670723
7-amino-4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-9H-pyrido[3,4-b]indole-1-carboxamide
CID 67994825
4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
CID 159042380
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide
CID 158520648
2-(3-bromo-2-methylphenyl)-5-chloro-3H-isoindol-1-one
CID 66606501
5-chloro-3-morpholin-4-ylpyridine-2-carboxamide
CID 166656624
4-[3-(5-fluoro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-(2-methoxyethoxy)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 67994756
2-[3-[4-amino-6-[(4-morpholin-4-ylphenyl)methyl]-1,3,5-triazin-2-yl]-2-(hydroxymethyl)phenyl]-5-tert-butyl-3H-isoindol-1-one
CID 158637954
2-bromo-7-morpholin-4-yl-5H-indeno[1,2-b]pyridine-4-carboxamide
CID 160822160
7-morpholin-4-yl-3-phenyl-9H-fluorene-1-carboxamide
CID 158093080
4-[3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylphenyl]-7-morpholin-4-yl-9H-pyrido[3,4-b]indole-1-carboxamide
CID 70651695

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?
The IUPAC name of 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide (CID 160659046) is 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide.
What is the SMILES notation for 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?
The canonical SMILES for 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide is Cc1c(-c2cnc(C(N)=O)c3c2-c2ccc(N4CCOCC4)cc2C3)cccc1N1Cc2ccc(Cl)cc2C1=O.
What is the InChIKey of 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?
The InChIKey is RLKUAFZZRSCUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN4O3/c1-18-23(3-2-4-28(18)37-17-19-5-6-21(33)15-25(19)32(37)39)27-16-35-30(31(34)38)26-14-20-13-22(7-8-24(20)29(26)27)36-9-11-40-12-10-36/h2-8,13,15-16H,9-12,14,17H2,1H3,(H2,34,38).
What are the key properties of 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?
4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide has a molecular weight of 551.05 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-methylphenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide is sourced from PubChem (CID 160659046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).