N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C26H20F2N6O — CID 66690075

IUPACN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ncc(F)cc3F)cn3c(-c4ccccc4)nnc23)nc1
InChIInChI=1S/C26H20F2N6O/c1-15-8-9-22(29-12-15)20-10-18(26(35)31-16(2)23-21(28)11-19(27)13-30-23)14-34-24(32-33-25(20)34)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,31,35)/t16-/m1/s1
InChIKeySBVXXEPWIXOLHN-MRXNPFEDSA-N
MW470.48 g/mol
LogP4.93
Rot. Bonds5

About N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 66690075) has the molecular formula C26H20F2N6O and a molecular weight of 470.48 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID66690075
Molecular FormulaC26H20F2N6O
Molecular Weight470.48 g/mol
Exact Mass470.17
IUPAC NameN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ncc(F)cc3F)cn3c(-c4ccccc4)nnc23)nc1
InChIInChI=1S/C26H20F2N6O/c1-15-8-9-22(29-12-15)20-10-18(26(35)31-16(2)23-21(28)11-19(27)13-30-23)14-34-24(32-33-25(20)34)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,31,35)/t16-/m1/s1
InChIKeySBVXXEPWIXOLHN-MRXNPFEDSA-N
XLogP4.93
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 66690075) is N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ncc(F)cc3F)cn3c(-c4ccccc4)nnc23)nc1.
What is the InChIKey of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is SBVXXEPWIXOLHN-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H20F2N6O/c1-15-8-9-22(29-12-15)20-10-18(26(35)31-16(2)23-21(28)11-19(27)13-30-23)14-34-24(32-33-25(20)34)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,31,35)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-8-(5-methyl-2-pyridinyl)-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 66690075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).