formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide

C22H23F3N6O4 — CID 155167252

IUPACformic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCN1CCC(c2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(N)=O)cn3n2)CC1.O=CO
InChIInChI=1S/C21H21F3N6O2.CH2O2/c1-29-7-5-12(6-8-29)16-9-13-10-17(14(19(25)31)11-30(13)28-16)27-20(32)15-3-2-4-18(26-15)21(22,23)24;2-1-3/h2-4,9-12H,5-8H2,1H3,(H2,25,31)(H,27,32);1H,(H,2,3)
InChIKeyIUQOUIIOFGRSKR-UHFFFAOYSA-N
MW492.46 g/mol
LogP2.61
Rot. Bonds4

About formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide

formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 155167252) has the molecular formula C22H23F3N6O4 and a molecular weight of 492.46 g/mol. Its IUPAC name is formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Nameformic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID155167252
Molecular FormulaC22H23F3N6O4
Molecular Weight492.46 g/mol
Exact Mass492.17
IUPAC Nameformic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCN1CCC(c2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(N)=O)cn3n2)CC1.O=CO
InChIInChI=1S/C21H21F3N6O2.CH2O2/c1-29-7-5-12(6-8-29)16-9-13-10-17(14(19(25)31)11-30(13)28-16)27-20(32)15-3-2-4-18(26-15)21(22,23)24;2-1-3/h2-4,9-12H,5-8H2,1H3,(H2,25,31)(H,27,32);1H,(H,2,3)
InChIKeyIUQOUIIOFGRSKR-UHFFFAOYSA-N
XLogP2.61
TPSA142.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Edecesertib
CID 147817927
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 42606577
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 42606688
US9586948, Example 12
CID 117871750
US9586948, Example 28
CID 117871992
N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 121231190
2,5-dimethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188590
US10618903, Example 193
CID 124157904
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-((5-(difluoromethyl)pyridin-3-yl)amino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 135307870
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(pyridin-3-ylamino)nicotinamide
CID 135307895

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 155167252) is formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide is CN1CCC(c2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(N)=O)cn3n2)CC1.O=CO.
What is the InChIKey of formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is IUQOUIIOFGRSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2.CH2O2/c1-29-7-5-12(6-8-29)16-9-13-10-17(14(19(25)31)11-30(13)28-16)27-20(32)15-3-2-4-18(26-15)21(22,23)24;2-1-3/h2-4,9-12H,5-8H2,1H3,(H2,25,31)(H,27,32);1H,(H,2,3).
What are the key properties of formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?
formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 492.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 155167252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).