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N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide

C30H26F6N4O3 — CID 156873029

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cn2cc(C3CC3)nc12
InChIInChI=1S/C30H26F6N4O3/c1-42-24-8-18(11-40-12-23(16-2-3-16)39-27(24)40)28(41)37-10-21(30(34,35)36)22-9-20-26(43-15-29(20,13-31)14-32)25(38-22)17-4-6-19(33)7-5-17/h4-9,11-12,16,21H,2-3,10,13-15H2,1H3,(H,37,41)
InChIKeyATTYYBSQBYZWTL-UHFFFAOYSA-N
MW604.55 g/mol
LogP6.07
Rot. Bonds9

About N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide

N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 156873029) has the molecular formula C30H26F6N4O3 and a molecular weight of 604.55 g/mol. Its IUPAC name is N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID156873029
Molecular FormulaC30H26F6N4O3
Molecular Weight604.55 g/mol
Exact Mass604.19
IUPAC NameN-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cn2cc(C3CC3)nc12
InChIInChI=1S/C30H26F6N4O3/c1-42-24-8-18(11-40-12-23(16-2-3-16)39-27(24)40)28(41)37-10-21(30(34,35)36)22-9-20-26(43-15-29(20,13-31)14-32)25(38-22)17-4-6-19(33)7-5-17/h4-9,11-12,16,21H,2-3,10,13-15H2,1H3,(H,37,41)
InChIKeyATTYYBSQBYZWTL-UHFFFAOYSA-N
XLogP6.07
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.55
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide (CID 156873029) is N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide is COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cn2cc(C3CC3)nc12.
What is the InChIKey of N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ATTYYBSQBYZWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F6N4O3/c1-42-24-8-18(11-40-12-23(16-2-3-16)39-27(24)40)28(41)37-10-21(30(34,35)36)22-9-20-26(43-15-29(20,13-31)14-32)25(38-22)17-4-6-19(33)7-5-17/h4-9,11-12,16,21H,2-3,10,13-15H2,1H3,(H,37,41).
What are the key properties of N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide?
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 604.55 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 156873029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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