3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide

C38H46FN7O2 — CID 147676157

IUPAC3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide
SMILESCCNC(=O)c1ccc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c1
InChIInChI=1S/C38H46FN7O2/c1-7-40-35(47)25-12-14-28(39)30(17-25)43-34-33-31(41-22-45(33)23(2)3)19-29(42-34)24-11-13-27-32(18-24)46(36(48)37(27,4)5)26-20-38(6,21-26)44-15-9-8-10-16-44/h11-14,17-19,22-23,26H,7-10,15-16,20-21H2,1-6H3,(H,40,47)(H,42,43)
InChIKeyGOEZYIPDZGDHBZ-UHFFFAOYSA-N
MW651.83 g/mol
LogP7.34
Rot. Bonds8

About 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide

3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide (PubChem CID 147676157) has the molecular formula C38H46FN7O2 and a molecular weight of 651.83 g/mol. Its IUPAC name is 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide
PubChem CID147676157
Molecular FormulaC38H46FN7O2
Molecular Weight651.83 g/mol
Exact Mass651.37
IUPAC Name3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide
SMILESCCNC(=O)c1ccc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c1
InChIInChI=1S/C38H46FN7O2/c1-7-40-35(47)25-12-14-28(39)30(17-25)43-34-33-31(41-22-45(33)23(2)3)19-29(42-34)24-11-13-27-32(18-24)46(36(48)37(27,4)5)26-20-38(6,21-26)44-15-9-8-10-16-44/h11-14,17-19,22-23,26H,7-10,15-16,20-21H2,1-6H3,(H,40,47)(H,42,43)
InChIKeyGOEZYIPDZGDHBZ-UHFFFAOYSA-N
XLogP7.34
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.83
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide?
The IUPAC name of 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide (CID 147676157) is 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide is CCNC(=O)c1ccc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c1.
What is the InChIKey of 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide?
The InChIKey is GOEZYIPDZGDHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46FN7O2/c1-7-40-35(47)25-12-14-28(39)30(17-25)43-34-33-31(41-22-45(33)23(2)3)19-29(42-34)24-11-13-27-32(18-24)46(36(48)37(27,4)5)26-20-38(6,21-26)44-15-9-8-10-16-44/h11-14,17-19,22-23,26H,7-10,15-16,20-21H2,1-6H3,(H,40,47)(H,42,43).
What are the key properties of 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide?
3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide has a molecular weight of 651.83 g/mol, XLogP of 7.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 147676157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).