4-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 66728629

IUPAC4-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)c3ccc(F)cc3)nc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc32)CC1
InChIInChI=1S/C33H45FN6O4/c1-21(2)36-30(41)23-7-11-26(12-8-23)40-28-19-29(44-18-17-39-15-13-24(14-16-39)33(3,4)43)35-20-27(28)37-32(40)38-31(42)22-5-9-25(34)10-6-22/h5-6,9-10,19-21,23-24,26,43H,7-8,11-18H2,1-4H3,(H,36,41)(H,37,38,42)
InChIKeyNRYMROKDOKUJAK-UHFFFAOYSA-N
MW608.76 g/mol
LogP4.94
Rot. Bonds10

About 4-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

4-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 66728629) has the molecular formula C33H45FN6O4 and a molecular weight of 608.76 g/mol. Its IUPAC name is 4-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 Name4-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 CID66728629
Molecular FormulaC33H45FN6O4
Molecular Weight608.76 g/mol
Exact Mass608.35
IUPAC Name4-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)c3ccc(F)cc3)nc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc32)CC1
InChIInChI=1S/C33H45FN6O4/c1-21(2)36-30(41)23-7-11-26(12-8-23)40-28-19-29(44-18-17-39-15-13-24(14-16-39)33(3,4)43)35-20-27(28)37-32(40)38-31(42)22-5-9-25(34)10-6-22/h5-6,9-10,19-21,23-24,26,43H,7-8,11-18H2,1-4H3,(H,36,41)(H,37,38,42)
InChIKeyNRYMROKDOKUJAK-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 4-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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Related Compounds

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CID 52942278
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CID 52947137
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CID 56650693
CID 56650693
CID 121455883
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CID 146508298
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CID 163290850
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CID 163290904
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CID 52949618
CID 52949618

Frequently Asked Questions

What is the IUPAC name of 4-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 4-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 66728629) is 4-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 4-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 4-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)c3ccc(F)cc3)nc3cnc(OCCN4CCC(C(C)(C)O)CC4)cc32)CC1.
What is the InChIKey of 4-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 NRYMROKDOKUJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45FN6O4/c1-21(2)36-30(41)23-7-11-26(12-8-23)40-28-19-29(44-18-17-39-15-13-24(14-16-39)33(3,4)43)35-20-27(28)37-32(40)38-31(42)22-5-9-25(34)10-6-22/h5-6,9-10,19-21,23-24,26,43H,7-8,11-18H2,1-4H3,(H,36,41)(H,37,38,42).
What are the key properties of 4-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?
4-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 4-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 66728629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).