N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide

C14H14F3N7O — CID 156584966

IUPACN-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2c(NC(=O)C3CCn4nccc4C3)[nH]nc21
InChIInChI=1S/C14H14F3N7O/c1-23-12-9(10(22-23)14(15,16)17)11(20-21-12)19-13(25)7-3-5-24-8(6-7)2-4-18-24/h2,4,7H,3,5-6H2,1H3,(H2,19,20,21,25)
InChIKeyYBZAFHAZSXKUJW-UHFFFAOYSA-N
MW353.31 g/mol
LogP1.71
Rot. Bonds2

About N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide

N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 156584966) has the molecular formula C14H14F3N7O and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID156584966
Molecular FormulaC14H14F3N7O
Molecular Weight353.31 g/mol
Exact Mass353.12
IUPAC NameN-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCn1nc(C(F)(F)F)c2c(NC(=O)C3CCn4nccc4C3)[nH]nc21
InChIInChI=1S/C14H14F3N7O/c1-23-12-9(10(22-23)14(15,16)17)11(20-21-12)19-13(25)7-3-5-24-8(6-7)2-4-18-24/h2,4,7H,3,5-6H2,1H3,(H2,19,20,21,25)
InChIKeyYBZAFHAZSXKUJW-UHFFFAOYSA-N
XLogP1.71
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide (CID 156584966) is N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide is Cn1nc(C(F)(F)F)c2c(NC(=O)C3CCn4nccc4C3)[nH]nc21.
What is the InChIKey of N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is YBZAFHAZSXKUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7O/c1-23-12-9(10(22-23)14(15,16)17)11(20-21-12)19-13(25)7-3-5-24-8(6-7)2-4-18-24/h2,4,7H,3,5-6H2,1H3,(H2,19,20,21,25).
What are the key properties of N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide?
N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 353.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 156584966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).