N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C22H16F3N5O2 — CID 164626758

IUPACN-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C22H16F3N5O2/c1-13-5-7-15(28-20(31)14-6-8-19(26-11-14)22(23,24)25)10-17(13)29-21(32)16-12-27-30-9-3-2-4-18(16)30/h2-12H,1H3,(H,28,31)(H,29,32)
InChIKeySYMFIVJOCIHNBK-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.56
Rot. Bonds4

About N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 164626758) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID164626758
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC NameN-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C22H16F3N5O2/c1-13-5-7-15(28-20(31)14-6-8-19(26-11-14)22(23,24)25)10-17(13)29-21(32)16-12-27-30-9-3-2-4-18(16)30/h2-12H,1H3,(H,28,31)(H,29,32)
InChIKeySYMFIVJOCIHNBK-UHFFFAOYSA-N
XLogP4.56
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 164626758) is N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1NC(=O)c1cnn2ccccc12.
What is the InChIKey of N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SYMFIVJOCIHNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-13-5-7-15(28-20(31)14-6-8-19(26-11-14)22(23,24)25)10-17(13)29-21(32)16-12-27-30-9-3-2-4-18(16)30/h2-12H,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 439.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 164626758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).