2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C26H21F2N5O2 — CID 71017625

IUPAC2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(-c3cnc4ccc(-c5cnn(C)c5)cn34)cc2F)cc1F
InChIInChI=1S/C26H21F2N5O2/c1-31-14-18(12-30-31)17-5-9-25-29-13-23(33(25)15-17)16-4-7-20(21(27)10-16)26(34)32(2)19-6-8-24(35-3)22(28)11-19/h4-15H,1-3H3
InChIKeyIIRAPXQHCIZTHR-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.97
Rot. Bonds5

About 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 71017625) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID71017625
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1ccc(N(C)C(=O)c2ccc(-c3cnc4ccc(-c5cnn(C)c5)cn34)cc2F)cc1F
InChIInChI=1S/C26H21F2N5O2/c1-31-14-18(12-30-31)17-5-9-25-29-13-23(33(25)15-17)16-4-7-20(21(27)10-16)26(34)32(2)19-6-8-24(35-3)22(28)11-19/h4-15H,1-3H3
InChIKeyIIRAPXQHCIZTHR-UHFFFAOYSA-N
XLogP4.97
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Bay-1217389
CID 78320750
Mbm-55
CID 137636872
(5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one
CID 153572432
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
1-(4-methoxyphenyl)-6-(4-(1-((2-methyl-1H-imidazol-1-yl)methyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 44593414
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 52934379
N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 76900863
5-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-6-methoxy-2-methyl-3H-isoindol-1-one
CID 102593934
5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[(1S)-1-(4-methoxy-2-pyridinyl)ethyl]-7-[(2-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 149503094

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 71017625) is 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1ccc(N(C)C(=O)c2ccc(-c3cnc4ccc(-c5cnn(C)c5)cn34)cc2F)cc1F.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is IIRAPXQHCIZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c1-31-14-18(12-30-31)17-5-9-25-29-13-23(33(25)15-17)16-4-7-20(21(27)10-16)26(34)32(2)19-6-8-24(35-3)22(28)11-19/h4-15H,1-3H3.
What are the key properties of 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 473.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-methoxyphenyl)-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 71017625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).