N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C23H25FN4O2 — CID 67845890

IUPACN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CC2COCC(C1)N2Cc1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c1-15-22(27-9-3-2-4-21(27)25-15)23(29)26-18-10-19-13-30-14-20(11-18)28(19)12-16-5-7-17(24)8-6-16/h2-9,18-20H,10-14H2,1H3,(H,26,29)
InChIKeyLWYXOCFAYNILTN-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.94
Rot. Bonds4

About N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67845890) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67845890
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CC2COCC(C1)N2Cc1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c1-15-22(27-9-3-2-4-21(27)25-15)23(29)26-18-10-19-13-30-14-20(11-18)28(19)12-16-5-7-17(24)8-6-16/h2-9,18-20H,10-14H2,1H3,(H,26,29)
InChIKeyLWYXOCFAYNILTN-UHFFFAOYSA-N
XLogP2.94
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 67845890) is N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NC1CC2COCC(C1)N2Cc1ccc(F)cc1.
What is the InChIKey of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LWYXOCFAYNILTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15-22(27-9-3-2-4-21(27)25-15)23(29)26-18-10-19-13-30-14-20(11-18)28(19)12-16-5-7-17(24)8-6-16/h2-9,18-20H,10-14H2,1H3,(H,26,29).
What are the key properties of N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67845890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).