3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

C33H45FN6O4 — CID 56652059

IUPAC3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc32)CC1
InChIInChI=1S/C33H45FN6O4/c1-21(2)36-30(41)22-8-10-26(11-9-22)40-28-19-29(44-17-16-39-14-12-24(13-15-39)33(3,4)43)35-20-27(28)37-32(40)38-31(42)23-6-5-7-25(34)18-23/h5-7,18-22,24,26,43H,8-17H2,1-4H3,(H,36,41)(H,37,38,42)
InChIKeyZVMGMQBYQBZTPH-UHFFFAOYSA-N
MW608.76 g/mol
LogP4.94
Rot. Bonds10

About 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 56652059) has the molecular formula C33H45FN6O4 and a molecular weight of 608.76 g/mol. Its IUPAC name is 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID56652059
Molecular FormulaC33H45FN6O4
Molecular Weight608.76 g/mol
Exact Mass608.35
IUPAC Name3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc32)CC1
InChIInChI=1S/C33H45FN6O4/c1-21(2)36-30(41)22-8-10-26(11-9-22)40-28-19-29(44-17-16-39-14-12-24(13-15-39)33(3,4)43)35-20-27(28)37-32(40)38-31(42)23-6-5-7-25(34)18-23/h5-7,18-22,24,26,43H,8-17H2,1-4H3,(H,36,41)(H,37,38,42)
InChIKeyZVMGMQBYQBZTPH-UHFFFAOYSA-N
XLogP4.94
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.76
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 56652059) is 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is CC(C)NC(=O)C1CCC(n2c(NC(=O)c3cccc(F)c3)nc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc32)CC1.
What is the InChIKey of 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is ZVMGMQBYQBZTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45FN6O4/c1-21(2)36-30(41)22-8-10-26(11-9-22)40-28-19-29(44-17-16-39-14-12-24(13-15-39)33(3,4)43)35-20-27(28)37-32(40)38-31(42)23-6-5-7-25(34)18-23/h5-7,18-22,24,26,43H,8-17H2,1-4H3,(H,36,41)(H,37,38,42).
What are the key properties of 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 608.76 g/mol, XLogP of 4.94, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 56652059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).