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

C25H30FN5O4 — CID 66728852

IUPAC4-fluoro-N-[6-(2-hydroxyethoxy)-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(OCCO)cc32)CC1
InChIInChI=1S/C25H30FN5O4/c1-15(2)28-23(33)17-5-9-19(10-6-17)31-21-13-22(35-12-11-32)27-14-20(21)29-25(31)30-24(34)16-3-7-18(26)8-4-16/h3-4,7-8,13-15,17,19,32H,5-6,9-12H2,1-2H3,(H,28,33)(H,29,30,34)
InChIKeyDHCNUULHPXCMSX-UHFFFAOYSA-N
MW483.54 g/mol
LogP3.45
Rot. Bonds8

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

4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 66728852) has the molecular formula C25H30FN5O4 and a molecular weight of 483.54 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID66728852
Molecular FormulaC25H30FN5O4
Molecular Weight483.54 g/mol
Exact Mass483.23
IUPAC Name4-fluoro-N-[6-(2-hydroxyethoxy)-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(OCCO)cc32)CC1
InChIInChI=1S/C25H30FN5O4/c1-15(2)28-23(33)17-5-9-19(10-6-17)31-21-13-22(35-12-11-32)27-14-20(21)29-25(31)30-24(34)16-3-7-18(26)8-4-16/h3-4,7-8,13-15,17,19,32H,5-6,9-12H2,1-2H3,(H,28,33)(H,29,30,34)
InChIKeyDHCNUULHPXCMSX-UHFFFAOYSA-N
XLogP3.45
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 66728852) is 4-fluoro-N-[6-(2-hydroxyethoxy)-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-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(2-hydroxyethoxy)-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(OCCO)cc32)CC1.
What is the InChIKey of 4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is DHCNUULHPXCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O4/c1-15(2)28-23(33)17-5-9-19(10-6-17)31-21-13-22(35-12-11-32)27-14-20(21)29-25(31)30-24(34)16-3-7-18(26)8-4-16/h3-4,7-8,13-15,17,19,32H,5-6,9-12H2,1-2H3,(H,28,33)(H,29,30,34).
What are the key properties of 4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 483.54 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2-hydroxyethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 66728852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).