N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide

C15H10Cl2F3N5O — CID 59227397

IUPACN-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCNc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C15H10Cl2F3N5O/c1-21-12-3-2-7(10-4-11(15(18,19)20)24-25(10)12)14(26)23-13-8(16)5-22-6-9(13)17/h2-6,21H,1H3,(H,22,23,26)
InChIKeyZKBRUBZCHQISOA-UHFFFAOYSA-N
MW404.18 g/mol
LogP4.35
Rot. Bonds3

About N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide

N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 59227397) has the molecular formula C15H10Cl2F3N5O and a molecular weight of 404.18 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID59227397
Molecular FormulaC15H10Cl2F3N5O
Molecular Weight404.18 g/mol
Exact Mass403.02
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCNc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C15H10Cl2F3N5O/c1-21-12-3-2-7(10-4-11(15(18,19)20)24-25(10)12)14(26)23-13-8(16)5-22-6-9(13)17/h2-6,21H,1H3,(H,22,23,26)
InChIKeyZKBRUBZCHQISOA-UHFFFAOYSA-N
XLogP4.35
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.18
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide (CID 59227397) is N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide is CNc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is ZKBRUBZCHQISOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N5O/c1-21-12-3-2-7(10-4-11(15(18,19)20)24-25(10)12)14(26)23-13-8(16)5-22-6-9(13)17/h2-6,21H,1H3,(H,22,23,26).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 404.18 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-7-(methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 59227397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).