5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide

C38H45F2N7O2 — CID 147775904

IUPAC5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCC(C(F)F)C5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C
InChIInChI=1S/C38H45F2N7O2/c1-21(2)46-20-42-31-18-30(44-35(33(31)46)43-25-11-9-22(3)28(15-25)36(48)41-6)23-10-12-29-32(14-23)47(37(49)38(29,4)5)27-16-26(17-27)45-13-7-8-24(19-45)34(39)40/h9-12,14-15,18,20-21,24,26-27,34H,7-8,13,16-17,19H2,1-6H3,(H,41,48)(H,43,44)
InChIKeyHGVFPYUCBYLUGV-UHFFFAOYSA-N
MW669.82 g/mol
LogP7.22
Rot. Bonds8

About 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide

5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide (PubChem CID 147775904) has the molecular formula C38H45F2N7O2 and a molecular weight of 669.82 g/mol. Its IUPAC name is 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide
PubChem CID147775904
Molecular FormulaC38H45F2N7O2
Molecular Weight669.82 g/mol
Exact Mass669.36
IUPAC Name5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCC(C(F)F)C5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C
InChIInChI=1S/C38H45F2N7O2/c1-21(2)46-20-42-31-18-30(44-35(33(31)46)43-25-11-9-22(3)28(15-25)36(48)41-6)23-10-12-29-32(14-23)47(37(49)38(29,4)5)27-16-26(17-27)45-13-7-8-24(19-45)34(39)40/h9-12,14-15,18,20-21,24,26-27,34H,7-8,13,16-17,19H2,1-6H3,(H,41,48)(H,43,44)
InChIKeyHGVFPYUCBYLUGV-UHFFFAOYSA-N
XLogP7.22
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.82
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide (CID 147775904) is 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCC(C(F)F)C5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ccc1C.
What is the InChIKey of 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?
The InChIKey is HGVFPYUCBYLUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45F2N7O2/c1-21(2)46-20-42-31-18-30(44-35(33(31)46)43-25-11-9-22(3)28(15-25)36(48)41-6)23-10-12-29-32(14-23)47(37(49)38(29,4)5)27-16-26(17-27)45-13-7-8-24(19-45)34(39)40/h9-12,14-15,18,20-21,24,26-27,34H,7-8,13,16-17,19H2,1-6H3,(H,41,48)(H,43,44).
What are the key properties of 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide?
5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide has a molecular weight of 669.82 g/mol, XLogP of 7.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1-[3-[3-(difluoromethyl)piperidin-1-yl]cyclobutyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 147775904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).