2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

C33H34Cl2F6N8O2 — CID 57378908

IUPAC2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCc3ncccc3C(F)(F)F)c(N3CCC(C(F)(F)F)CC3)nc21
InChIInChI=1S/C33H34Cl2F6N8O2/c1-31(2,3)29(51)44-15-17-7-8-21(34)25(24(17)35)46-30-45-22-14-19(28(50)43-16-23-20(33(39,40)41)6-5-11-42-23)26(47-27(22)48(30)4)49-12-9-18(10-13-49)32(36,37)38/h5-8,11,14,18H,9-10,12-13,15-16H2,1-4H3,(H,43,50)(H,44,51)(H,45,46)
InChIKeyBJHXAXYESWUUDC-UHFFFAOYSA-N
MW759.58 g/mol
LogP7.80
Rot. Bonds8

About 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide

2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 57378908) has the molecular formula C33H34Cl2F6N8O2 and a molecular weight of 759.58 g/mol. Its IUPAC name is 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID57378908
Molecular FormulaC33H34Cl2F6N8O2
Molecular Weight759.58 g/mol
Exact Mass758.21
IUPAC Name2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCc3ncccc3C(F)(F)F)c(N3CCC(C(F)(F)F)CC3)nc21
InChIInChI=1S/C33H34Cl2F6N8O2/c1-31(2,3)29(51)44-15-17-7-8-21(34)25(24(17)35)46-30-45-22-14-19(28(50)43-16-23-20(33(39,40)41)6-5-11-42-23)26(47-27(22)48(30)4)49-12-9-18(10-13-49)32(36,37)38/h5-8,11,14,18H,9-10,12-13,15-16H2,1-4H3,(H,43,50)(H,44,51)(H,45,46)
InChIKeyBJHXAXYESWUUDC-UHFFFAOYSA-N
XLogP7.80
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.58
LogP ≤ 57.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 57378908) is 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCc3ncccc3C(F)(F)F)c(N3CCC(C(F)(F)F)CC3)nc21.
What is the InChIKey of 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is BJHXAXYESWUUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl2F6N8O2/c1-31(2,3)29(51)44-15-17-7-8-21(34)25(24(17)35)46-30-45-22-14-19(28(50)43-16-23-20(33(39,40)41)6-5-11-42-23)26(47-27(22)48(30)4)49-12-9-18(10-13-49)32(36,37)38/h5-8,11,14,18H,9-10,12-13,15-16H2,1-4H3,(H,43,50)(H,44,51)(H,45,46).
What are the key properties of 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 759.58 g/mol, XLogP of 7.80, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 57378908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).