1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide

C22H19F3N6O3 — CID 51033928

IUPAC1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NCC(O)C(F)(F)F)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H19F3N6O3/c1-30-19(15(10-27-30)20(33)26-11-17(32)22(23,24)25)21(34)28-14-7-8-31-12-16(29-18(31)9-14)13-5-3-2-4-6-13/h2-10,12,17,32H,11H2,1H3,(H,26,33)(H,28,34)
InChIKeyGYANHRRNDNNYDQ-UHFFFAOYSA-N
MW472.43 g/mol
LogP2.64
Rot. Bonds6

About 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide

1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide (PubChem CID 51033928) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide
PubChem CID51033928
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Name1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NCC(O)C(F)(F)F)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H19F3N6O3/c1-30-19(15(10-27-30)20(33)26-11-17(32)22(23,24)25)21(34)28-14-7-8-31-12-16(29-18(31)9-14)13-5-3-2-4-6-13/h2-10,12,17,32H,11H2,1H3,(H,26,33)(H,28,34)
InChIKeyGYANHRRNDNNYDQ-UHFFFAOYSA-N
XLogP2.64
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2-hydroxypropyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 58446793
1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67041914
1-methyl-4-[(1S,4R)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 51033925
1-methyl-4-(2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 75601870
4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
CID 57377301
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
N-(2-methylpropyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788420
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide
CID 53469437
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 57378953
N-(3-acetamidophenyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801394
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(1-pyridin-3-ylethyl)pyrazole-4,5-dicarboxamide
CID 67392157

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide (CID 51033928) is 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide is Cn1ncc(C(=O)NCC(O)C(F)(F)F)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide?
The InChIKey is GYANHRRNDNNYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c1-30-19(15(10-27-30)20(33)26-11-17(32)22(23,24)25)21(34)28-14-7-8-31-12-16(29-18(31)9-14)13-5-3-2-4-6-13/h2-10,12,17,32H,11H2,1H3,(H,26,33)(H,28,34).
What are the key properties of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide?
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide has a molecular weight of 472.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 51033928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).