N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C20H18F3N7O — CID 171655859

IUPACN-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnn(CCCC(F)(F)F)n2)cc1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C20H18F3N7O/c1-13-6-7-14(18-26-28-30(27-18)10-4-8-20(21,22)23)11-16(13)25-19(31)15-12-24-29-9-3-2-5-17(15)29/h2-3,5-7,9,11-12H,4,8,10H2,1H3,(H,25,31)
InChIKeyLBEHCOYWMIHJRA-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.89
Rot. Bonds6

About N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171655859) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171655859
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC NameN-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnn(CCCC(F)(F)F)n2)cc1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C20H18F3N7O/c1-13-6-7-14(18-26-28-30(27-18)10-4-8-20(21,22)23)11-16(13)25-19(31)15-12-24-29-9-3-2-5-17(15)29/h2-3,5-7,9,11-12H,4,8,10H2,1H3,(H,25,31)
InChIKeyLBEHCOYWMIHJRA-UHFFFAOYSA-N
XLogP3.89
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171655859) is N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2nnn(CCCC(F)(F)F)n2)cc1NC(=O)c1cnn2ccccc12.
What is the InChIKey of N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LBEHCOYWMIHJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-13-6-7-14(18-26-28-30(27-18)10-4-8-20(21,22)23)11-16(13)25-19(31)15-12-24-29-9-3-2-5-17(15)29/h2-3,5-7,9,11-12H,4,8,10H2,1H3,(H,25,31).
What are the key properties of N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[2-(4,4,4-trifluorobutyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171655859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).