2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate

C22H20N5O4S- — CID 155015554

IUPAC2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate
SMILESCOc1cc2nc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cn2cc1S(=O)[O-]
InChIInChI=1S/C22H21N5O4S/c1-13-3-4-14(22(28)24-16-5-6-16)7-17(13)15-9-23-27(10-15)21-12-26-11-19(32(29)30)18(31-2)8-20(26)25-21/h3-4,7-12,16H,5-6H2,1-2H3,(H,24,28)(H,29,30)/p-1
InChIKeyRAZJLHPEGXATPA-UHFFFAOYSA-M
MW450.50 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate

2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate (PubChem CID 155015554) has the molecular formula C22H20N5O4S- and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate.

Molecular Properties

Compound Name2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate
PubChem CID155015554
Molecular FormulaC22H20N5O4S-
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC Name2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate
SMILESCOc1cc2nc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cn2cc1S(=O)[O-]
InChIInChI=1S/C22H21N5O4S/c1-13-3-4-14(22(28)24-16-5-6-16)7-17(13)15-9-23-27(10-15)21-12-26-11-19(32(29)30)18(31-2)8-20(26)25-21/h3-4,7-12,16H,5-6H2,1-2H3,(H,24,28)(H,29,30)/p-1
InChIKeyRAZJLHPEGXATPA-UHFFFAOYSA-M
XLogP2.63
TPSA113.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 155015549
N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide
CID 134325342
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 134328481
3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 134325343
3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 134328476
N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
CID 157192833
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
CID 134328558
N-cyclopropyl-4-methyl-3-[1-[2-(2-oxo-1-pyridinyl)-1,3-thiazol-5-yl]pyrazol-4-yl]benzamide
CID 134328556
N-cyclopropyl-3-[2-(6-ethylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)-3,4-dihydropyrazol-4-yl]-4-methylbenzamide
CID 155015533
N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999645
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325469
N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide
CID 142855166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate?
The IUPAC name of 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate (CID 155015554) is 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate.
What is the SMILES notation for 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate?
The canonical SMILES for 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate is COc1cc2nc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cn2cc1S(=O)[O-].
What is the InChIKey of 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate?
The InChIKey is RAZJLHPEGXATPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21N5O4S/c1-13-3-4-14(22(28)24-16-5-6-16)7-17(13)15-9-23-27(10-15)21-12-26-11-19(32(29)30)18(31-2)8-20(26)25-21/h3-4,7-12,16H,5-6H2,1-2H3,(H,24,28)(H,29,30)/p-1.
What are the key properties of 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate?
2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate has a molecular weight of 450.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate is sourced from PubChem (CID 155015554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).