7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one

C33H34ClN5O2 — CID 46897047

IUPAC7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one
SMILESO=C(CCn1ccc2ccc(N3Cc4cccc(Cl)c4C3=O)cc21)N1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C33H34ClN5O2/c34-28-3-1-2-25-23-39(32(41)31(25)28)27-5-4-24-8-16-37(29(24)22-27)17-9-30(40)38-20-12-33(13-21-38)10-18-36(19-11-33)26-6-14-35-15-7-26/h1-8,14-16,22H,9-13,17-21,23H2
InChIKeyHPFUEHUSRRYPNE-UHFFFAOYSA-N
MW568.12 g/mol
LogP6.15
Rot. Bonds5

About 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one

7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one (PubChem CID 46897047) has the molecular formula C33H34ClN5O2 and a molecular weight of 568.12 g/mol. Its IUPAC name is 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one
PubChem CID46897047
Molecular FormulaC33H34ClN5O2
Molecular Weight568.12 g/mol
Exact Mass567.24
IUPAC Name7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one
SMILESO=C(CCn1ccc2ccc(N3Cc4cccc(Cl)c4C3=O)cc21)N1CCC2(CC1)CCN(c1ccncc1)CC2
InChIInChI=1S/C33H34ClN5O2/c34-28-3-1-2-25-23-39(32(41)31(25)28)27-5-4-24-8-16-37(29(24)22-27)17-9-30(40)38-20-12-33(13-21-38)10-18-36(19-11-33)26-6-14-35-15-7-26/h1-8,14-16,22H,9-13,17-21,23H2
InChIKeyHPFUEHUSRRYPNE-UHFFFAOYSA-N
XLogP6.15
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.12
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one with MolForge

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Related Compounds

7-Chloro-2-(3-((9-(pyridin-4-yl)-3,9-diazaspiro(5.5)undecan-3-yl)carbonyl)phenyl)-2,3-dihydroisoindol-1-one
CID 11848206
7-chloro-2-[4-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]-3H-isoindol-1-one
CID 129849165
8-[3-[6-(4-chloro-3-oxo-1H-isoindol-2-yl)indol-1-yl]propanoyl]-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 46896854
7-chloro-2-[1-[2-[9-(3,3-difluoroazetidin-1-yl)-3-azaspiro[5.5]undecan-3-yl]-2-oxoethyl]indol-6-yl]-3H-isoindol-1-one
CID 46897243
2-[6-(4-chloro-3-oxo-1H-isoindol-2-yl)indol-1-yl]-N-[2-[4-(3-fluorophenyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethyl]-N-methylacetamide
CID 46897246
7-chloro-2-[1-[2-[4-(3-fluorophenyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]indol-6-yl]-3H-isoindol-1-one
CID 68494476
3-[2-[(3S)-5-chloro-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-fluorophenyl)-N-(1-methylindol-6-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 71695786
1-(2-Chlorobenzoyl)-3-(1,2,3,5,8,8a-hexahydro-7-indolizinyl)-5-azaindole
CID 9886032
(5-Chloro-1-methyl-2-phenylindol-3-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone;hydrochloride
CID 17820078
8-chloro-4-methyl-2-[1-[2-oxo-2-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]indol-6-yl]-3H-pyrrolo[3,4-b]indol-1-one
CID 46853655
7-chloro-2-[1-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]indol-6-yl]-3H-isoindol-1-one
CID 46896757
7-chloro-2-[1-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]indol-6-yl]-3H-isoindol-1-one
CID 46896758

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one?
The IUPAC name of 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one (CID 46897047) is 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one is O=C(CCn1ccc2ccc(N3Cc4cccc(Cl)c4C3=O)cc21)N1CCC2(CC1)CCN(c1ccncc1)CC2.
What is the InChIKey of 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one?
The InChIKey is HPFUEHUSRRYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN5O2/c34-28-3-1-2-25-23-39(32(41)31(25)28)27-5-4-24-8-16-37(29(24)22-27)17-9-30(40)38-20-12-33(13-21-38)10-18-36(19-11-33)26-6-14-35-15-7-26/h1-8,14-16,22H,9-13,17-21,23H2.
What are the key properties of 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one?
7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one has a molecular weight of 568.12 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[1-[3-oxo-3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)propyl]indol-6-yl]-3H-isoindol-1-one is sourced from PubChem (CID 46897047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).