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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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).