N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

C33H37FN6O4 — CID 71283122

IUPACN-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccn4c(C(=O)Nc5cc(C(=O)NCC6CCC(C)(C)O6)ccc5F)cnc4c3)cn2)CC1
InChIInChI=1S/C33H37FN6O4/c1-33(2)12-8-25(44-33)19-37-31(41)22-4-6-26(34)27(16-22)38-32(42)28-20-35-29-17-21(9-15-40(28)29)23-5-7-30(36-18-23)43-24-10-13-39(3)14-11-24/h4-7,9,15-18,20,24-25H,8,10-14,19H2,1-3H3,(H,37,41)(H,38,42)
InChIKeyAQFXEBTWJORMCL-UHFFFAOYSA-N
MW600.70 g/mol
LogP4.95
Rot. Bonds8

About N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283122) has the molecular formula C33H37FN6O4 and a molecular weight of 600.70 g/mol. Its IUPAC name is N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71283122
Molecular FormulaC33H37FN6O4
Molecular Weight600.70 g/mol
Exact Mass600.29
IUPAC NameN-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccn4c(C(=O)Nc5cc(C(=O)NCC6CCC(C)(C)O6)ccc5F)cnc4c3)cn2)CC1
InChIInChI=1S/C33H37FN6O4/c1-33(2)12-8-25(44-33)19-37-31(41)22-4-6-26(34)27(16-22)38-32(42)28-20-35-29-17-21(9-15-40(28)29)23-5-7-30(36-18-23)43-24-10-13-39(3)14-11-24/h4-7,9,15-18,20,24-25H,8,10-14,19H2,1-3H3,(H,37,41)(H,38,42)
InChIKeyAQFXEBTWJORMCL-UHFFFAOYSA-N
XLogP4.95
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.70
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71283122) is N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is CN1CCC(Oc2ccc(-c3ccn4c(C(=O)Nc5cc(C(=O)NCC6CCC(C)(C)O6)ccc5F)cnc4c3)cn2)CC1.
What is the InChIKey of N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is AQFXEBTWJORMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN6O4/c1-33(2)12-8-25(44-33)19-37-31(41)22-4-6-26(34)27(16-22)38-32(42)28-20-35-29-17-21(9-15-40(28)29)23-5-7-30(36-18-23)43-24-10-13-39(3)14-11-24/h4-7,9,15-18,20,24-25H,8,10-14,19H2,1-3H3,(H,37,41)(H,38,42).
What are the key properties of N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 600.70 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).