3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate

C47H46F2N10O6 — CID 157375855

IUPAC3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESC.C.COC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)O)cn23)c1
InChIInChI=1S/C23H20FN5O3.C22H18FN5O3.2CH4/c1-13-7-19(24)18(22(30)27-16-4-5-16)8-17(13)15-9-26-29(12-15)21-10-25-20-6-3-14(11-28(20)21)23(31)32-2;1-12-6-18(23)17(21(29)26-15-3-4-15)7-16(12)14-8-25-28(11-14)20-9-24-19-5-2-13(22(30)31)10-27(19)20;;/h3,6-12,16H,4-5H2,1-2H3,(H,27,30);2,5-11,15H,3-4H2,1H3,(H,26,29)(H,30,31);2*1H4
InChIKeyBKHYPEZZLPARMT-UHFFFAOYSA-N
MW884.95 g/mol
LogP7.81
Rot. Bonds10

About 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate

3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 157375855) has the molecular formula C47H46F2N10O6 and a molecular weight of 884.95 g/mol. Its IUPAC name is 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID157375855
Molecular FormulaC47H46F2N10O6
Molecular Weight884.95 g/mol
Exact Mass884.36
IUPAC Name3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESC.C.COC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)O)cn23)c1
InChIInChI=1S/C23H20FN5O3.C22H18FN5O3.2CH4/c1-13-7-19(24)18(22(30)27-16-4-5-16)8-17(13)15-9-26-29(12-15)21-10-25-20-6-3-14(11-28(20)21)23(31)32-2;1-12-6-18(23)17(21(29)26-15-3-4-15)7-16(12)14-8-25-28(11-14)20-9-24-19-5-2-13(22(30)31)10-27(19)20;;/h3,6-12,16H,4-5H2,1-2H3,(H,27,30);2,5-11,15H,3-4H2,1H3,(H,26,29)(H,30,31);2*1H4
InChIKeyBKHYPEZZLPARMT-UHFFFAOYSA-N
XLogP7.81
TPSA192.04 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.95
LogP ≤ 57.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

US10138241, Example 81-1
CID 134328444
US10138241, Example 71
CID 134328446
US10138241, Example 81-2
CID 134328464
US10138241, Example 56
CID 134328465
US10138241, Example 75
CID 134328489
US10138241, Example 2
CID 134328540
US10138241, Example 57
CID 134328523
US10138241, Example 72
CID 134328584
US10138241, Example 82-1
CID 134328604
US10138241, Example 82-2
CID 134328605
Tert-butyl 4-[3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 134328534
4-[3-[4-[5-(Cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-4-hydroxypiperidine-1-carboxylic acid
CID 134328609

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate (CID 157375855) is 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is C.C.COC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1.Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(=O)O)cn23)c1.
What is the InChIKey of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is BKHYPEZZLPARMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3.C22H18FN5O3.2CH4/c1-13-7-19(24)18(22(30)27-16-4-5-16)8-17(13)15-9-26-29(12-15)21-10-25-20-6-3-14(11-28(20)21)23(31)32-2;1-12-6-18(23)17(21(29)26-15-3-4-15)7-16(12)14-8-25-28(11-14)20-9-24-19-5-2-13(22(30)31)10-27(19)20;;/h3,6-12,16H,4-5H2,1-2H3,(H,27,30);2,5-11,15H,3-4H2,1H3,(H,26,29)(H,30,31);2*1H4.
What are the key properties of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate?
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 884.95 g/mol, XLogP of 7.81, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;methane;methyl 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 157375855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).