6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one

C27H34ClN5O — CID 146592441

IUPAC6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one
SMILESCC(C)CNC1CC(N2C(=O)C(C)(C)c3ccc(-c4cc5ncn(C(C)C)c5c(Cl)n4)cc32)C1
InChIInChI=1S/C27H34ClN5O/c1-15(2)13-29-18-10-19(11-18)33-23-9-17(7-8-20(23)27(5,6)26(33)34)21-12-22-24(25(28)31-21)32(14-30-22)16(3)4/h7-9,12,14-16,18-19,29H,10-11,13H2,1-6H3
InChIKeyBGQPSGAAPDFAOH-UHFFFAOYSA-N
MW480.06 g/mol
LogP5.73
Rot. Bonds6

About 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one

6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one (PubChem CID 146592441) has the molecular formula C27H34ClN5O and a molecular weight of 480.06 g/mol. Its IUPAC name is 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one.

Molecular Properties

Compound Name6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one
PubChem CID146592441
Molecular FormulaC27H34ClN5O
Molecular Weight480.06 g/mol
Exact Mass479.25
IUPAC Name6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one
SMILESCC(C)CNC1CC(N2C(=O)C(C)(C)c3ccc(-c4cc5ncn(C(C)C)c5c(Cl)n4)cc32)C1
InChIInChI=1S/C27H34ClN5O/c1-15(2)13-29-18-10-19(11-18)33-23-9-17(7-8-20(23)27(5,6)26(33)34)21-12-22-24(25(28)31-21)32(14-30-22)16(3)4/h7-9,12,14-16,18-19,29H,10-11,13H2,1-6H3
InChIKeyBGQPSGAAPDFAOH-UHFFFAOYSA-N
XLogP5.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.06
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one?
The IUPAC name of 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one (CID 146592441) is 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one.
What is the SMILES notation for 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one?
The canonical SMILES for 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one is CC(C)CNC1CC(N2C(=O)C(C)(C)c3ccc(-c4cc5ncn(C(C)C)c5c(Cl)n4)cc32)C1.
What is the InChIKey of 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one?
The InChIKey is BGQPSGAAPDFAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O/c1-15(2)13-29-18-10-19(11-18)33-23-9-17(7-8-20(23)27(5,6)26(33)34)21-12-22-24(25(28)31-21)32(14-30-22)16(3)4/h7-9,12,14-16,18-19,29H,10-11,13H2,1-6H3.
What are the key properties of 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one?
6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one has a molecular weight of 480.06 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-3,3-dimethyl-1-[3-(2-methylpropylamino)cyclobutyl]indol-2-one is sourced from PubChem (CID 146592441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).