1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide

C26H26FN7O — CID 168885315

IUPAC1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide
SMILESCn1cc(-c2cc(-c3ccc(CNC(=O)c4ccn(C(C)(C)C)n4)c(F)c3)c3ccnn3c2)cn1
InChIInChI=1S/C26H26FN7O/c1-26(2,3)34-10-8-23(31-34)25(35)28-13-18-6-5-17(12-22(18)27)21-11-19(20-14-30-32(4)15-20)16-33-24(21)7-9-29-33/h5-12,14-16H,13H2,1-4H3,(H,28,35)
InChIKeyNKAIZVYLBFHADH-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.42
Rot. Bonds5

About 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide

1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 168885315) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide
PubChem CID168885315
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC Name1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide
SMILESCn1cc(-c2cc(-c3ccc(CNC(=O)c4ccn(C(C)(C)C)n4)c(F)c3)c3ccnn3c2)cn1
InChIInChI=1S/C26H26FN7O/c1-26(2,3)34-10-8-23(31-34)25(35)28-13-18-6-5-17(12-22(18)27)21-11-19(20-14-30-32(4)15-20)16-33-24(21)7-9-29-33/h5-12,14-16H,13H2,1-4H3,(H,28,35)
InChIKeyNKAIZVYLBFHADH-UHFFFAOYSA-N
XLogP4.42
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide
CID 168885070
3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide
CID 174067421
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]acetamide
CID 176654473
2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide
CID 168885131
2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide
CID 168885283
N-[(2,4-difluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 171561065
3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 121249896
5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 121249712
1-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-methylphenyl]methyl]pyrazole-3-carboxamide
CID 155288086
3-tert-butyl-N-[[2-methoxy-4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 176883681
[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
CID 168885126
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride
CID 121452338

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide (CID 168885315) is 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide is Cn1cc(-c2cc(-c3ccc(CNC(=O)c4ccn(C(C)(C)C)n4)c(F)c3)c3ccnn3c2)cn1.
What is the InChIKey of 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is NKAIZVYLBFHADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O/c1-26(2,3)34-10-8-23(31-34)25(35)28-13-18-6-5-17(12-22(18)27)21-11-19(20-14-30-32(4)15-20)16-33-24(21)7-9-29-33/h5-12,14-16H,13H2,1-4H3,(H,28,35).
What are the key properties of 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide?
1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 168885315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).