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

C33H43FN6O5 — CID 66729075

IUPAC3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)(O)C1CCN(CCOc2cc3c(cn2)nc(NC(=O)c2cccc(F)c2)n3C2CCC(C(=O)N3CC(O)C3)CC2)CC1
InChIInChI=1S/C33H43FN6O5/c1-33(2,44)23-10-12-38(13-11-23)14-15-45-29-17-28-27(18-35-29)36-32(37-30(42)22-4-3-5-24(34)16-22)40(28)25-8-6-21(7-9-25)31(43)39-19-26(41)20-39/h3-5,16-18,21,23,25-26,41,44H,6-15,19-20H2,1-2H3,(H,36,37,42)
InChIKeyFBHVIFQEYRKYBR-UHFFFAOYSA-N
MW622.74 g/mol
LogP3.62
Rot. Bonds9

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

3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 66729075) has the molecular formula C33H43FN6O5 and a molecular weight of 622.74 g/mol. Its IUPAC name is 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID66729075
Molecular FormulaC33H43FN6O5
Molecular Weight622.74 g/mol
Exact Mass622.33
IUPAC Name3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)(O)C1CCN(CCOc2cc3c(cn2)nc(NC(=O)c2cccc(F)c2)n3C2CCC(C(=O)N3CC(O)C3)CC2)CC1
InChIInChI=1S/C33H43FN6O5/c1-33(2,44)23-10-12-38(13-11-23)14-15-45-29-17-28-27(18-35-29)36-32(37-30(42)22-4-3-5-24(34)16-22)40(28)25-8-6-21(7-9-25)31(43)39-19-26(41)20-39/h3-5,16-18,21,23,25-26,41,44H,6-15,19-20H2,1-2H3,(H,36,37,42)
InChIKeyFBHVIFQEYRKYBR-UHFFFAOYSA-N
XLogP3.62
TPSA133.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.74
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]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-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 66729075) is 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide is CC(C)(O)C1CCN(CCOc2cc3c(cn2)nc(NC(=O)c2cccc(F)c2)n3C2CCC(C(=O)N3CC(O)C3)CC2)CC1.
What is the InChIKey of 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is FBHVIFQEYRKYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43FN6O5/c1-33(2,44)23-10-12-38(13-11-23)14-15-45-29-17-28-27(18-35-29)36-32(37-30(42)22-4-3-5-24(34)16-22)40(28)25-8-6-21(7-9-25)31(43)39-19-26(41)20-39/h3-5,16-18,21,23,25-26,41,44H,6-15,19-20H2,1-2H3,(H,36,37,42).
What are the key properties of 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide?
3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 622.74 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[4-(3-hydroxyazetidine-1-carbonyl)cyclohexyl]-6-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethoxy]imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 66729075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).