3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide

C27H24FN5O3 — CID 118463617

IUPAC3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
SMILESCOc1cc(-c2nc3cc(C(=O)NCc4ccc5nccn5c4)ccc3nc2OC(C)C)ccc1F
InChIInChI=1S/C27H24FN5O3/c1-16(2)36-27-25(18-5-7-20(28)23(13-18)35-3)31-22-12-19(6-8-21(22)32-27)26(34)30-14-17-4-9-24-29-10-11-33(24)15-17/h4-13,15-16H,14H2,1-3H3,(H,30,34)
InChIKeyPMBILPMNTOVLBV-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.81
Rot. Bonds7

About 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide

3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide (PubChem CID 118463617) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
PubChem CID118463617
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Name3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
SMILESCOc1cc(-c2nc3cc(C(=O)NCc4ccc5nccn5c4)ccc3nc2OC(C)C)ccc1F
InChIInChI=1S/C27H24FN5O3/c1-16(2)36-27-25(18-5-7-20(28)23(13-18)35-3)31-22-12-19(6-8-21(22)32-27)26(34)30-14-17-4-9-24-29-10-11-33(24)15-17/h4-13,15-16H,14H2,1-3H3,(H,30,34)
InChIKeyPMBILPMNTOVLBV-UHFFFAOYSA-N
XLogP4.81
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide (CID 118463617) is 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide is COc1cc(-c2nc3cc(C(=O)NCc4ccc5nccn5c4)ccc3nc2OC(C)C)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide?
The InChIKey is PMBILPMNTOVLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-16(2)36-27-25(18-5-7-20(28)23(13-18)35-3)31-22-12-19(6-8-21(22)32-27)26(34)30-14-17-4-9-24-29-10-11-33(24)15-17/h4-13,15-16H,14H2,1-3H3,(H,30,34).
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide?
3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide is sourced from PubChem (CID 118463617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).