N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide

C30H39FN6O4 — CID 56652060

IUPACN-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide
SMILESCC(C)(O)C1CCN(CCOc2cc3c(cn2)nc(NC(=O)c2ccc(F)cc2)n3C2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C30H39FN6O4/c1-30(2,40)21-11-13-36(14-12-21)15-16-41-26-17-25-24(18-33-26)34-29(35-28(39)20-3-7-22(31)8-4-20)37(25)23-9-5-19(6-10-23)27(32)38/h3-4,7-8,17-19,21,23,40H,5-6,9-16H2,1-2H3,(H2,32,38)(H,34,35,39)
InChIKeyVCQONCCRVLGCQQ-UHFFFAOYSA-N
MW566.68 g/mol
LogP3.90
Rot. Bonds9

About N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide

N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide (PubChem CID 56652060) has the molecular formula C30H39FN6O4 and a molecular weight of 566.68 g/mol. Its IUPAC name is N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide
PubChem CID56652060
Molecular FormulaC30H39FN6O4
Molecular Weight566.68 g/mol
Exact Mass566.30
IUPAC NameN-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide
SMILESCC(C)(O)C1CCN(CCOc2cc3c(cn2)nc(NC(=O)c2ccc(F)cc2)n3C2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C30H39FN6O4/c1-30(2,40)21-11-13-36(14-12-21)15-16-41-26-17-25-24(18-33-26)34-29(35-28(39)20-3-7-22(31)8-4-20)37(25)23-9-5-19(6-10-23)27(32)38/h3-4,7-8,17-19,21,23,40H,5-6,9-16H2,1-2H3,(H2,32,38)(H,34,35,39)
InChIKeyVCQONCCRVLGCQQ-UHFFFAOYSA-N
XLogP3.90
TPSA135.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.68
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide (CID 56652060) is N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide is CC(C)(O)C1CCN(CCOc2cc3c(cn2)nc(NC(=O)c2ccc(F)cc2)n3C2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide?
The InChIKey is VCQONCCRVLGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN6O4/c1-30(2,40)21-11-13-36(14-12-21)15-16-41-26-17-25-24(18-33-26)34-29(35-28(39)20-3-7-22(31)8-4-20)37(25)23-9-5-19(6-10-23)27(32)38/h3-4,7-8,17-19,21,23,40H,5-6,9-16H2,1-2H3,(H2,32,38)(H,34,35,39).
What are the key properties of N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide?
N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide has a molecular weight of 566.68 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-carbamoylcyclohexyl)-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 56652060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).