formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide

C23H20F3N7O3 — CID 161468971

IUPACformic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3ccnc(NCC(F)(F)F)c3)n2)c(-c2ccccn2)n1.O=CO
InChIInChI=1S/C22H18F3N7O.CH2O2/c1-32-12-18(20(31-32)16-5-2-3-9-26-16)30-21(33)17-7-4-6-15(29-17)14-8-10-27-19(11-14)28-13-22(23,24)25;2-1-3/h2-12H,13H2,1H3,(H,27,28)(H,30,33);1H,(H,2,3)
InChIKeyWCUWALVQFZGHGB-UHFFFAOYSA-N
MW499.45 g/mol
LogP3.87
Rot. Bonds6

About formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide

formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide (PubChem CID 161468971) has the molecular formula C23H20F3N7O3 and a molecular weight of 499.45 g/mol. Its IUPAC name is formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide
PubChem CID161468971
Molecular FormulaC23H20F3N7O3
Molecular Weight499.45 g/mol
Exact Mass499.16
IUPAC Nameformic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3ccnc(NCC(F)(F)F)c3)n2)c(-c2ccccn2)n1.O=CO
InChIInChI=1S/C22H18F3N7O.CH2O2/c1-32-12-18(20(31-32)16-5-2-3-9-26-16)30-21(33)17-7-4-6-15(29-17)14-8-10-27-19(11-14)28-13-22(23,24)25;2-1-3/h2-12H,13H2,1H3,(H,27,28)(H,30,33);1H,(H,2,3)
InChIKeyWCUWALVQFZGHGB-UHFFFAOYSA-N
XLogP3.87
TPSA134.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329171
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328252
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328253
6-cyclopropyl-N-[1-(2-phenylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328634
6-cyclopropyl-N-[5-pyridin-2-yl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328814
N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328990
6-cyclopropyl-N-(1-pyridin-2-ylpyrazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330056
6-cyclopropyl-N-[3-(methylcarbamoyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548263
6-cyclopropyl-N-[3-(methylcarbamoyl)-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548296
6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548343
6-cyclopropyl-N-[5-(methylcarbamoyl)-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 84973159
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide (CID 161468971) is formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC(F)(F)F)c3)n2)c(-c2ccccn2)n1.O=CO.
What is the InChIKey of formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide?
The InChIKey is WCUWALVQFZGHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O.CH2O2/c1-32-12-18(20(31-32)16-5-2-3-9-26-16)30-21(33)17-7-4-6-15(29-17)14-8-10-27-19(11-14)28-13-22(23,24)25;2-1-3/h2-12H,13H2,1H3,(H,27,28)(H,30,33);1H,(H,2,3).
What are the key properties of formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide?
formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide has a molecular weight of 499.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 161468971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).