1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C24H24N6O2 — CID 157335364

IUPAC1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)c1
InChIInChI=1S/C24H24N6O2/c1-29-23(19(15-26-29)20-14-18(32-2)8-10-25-20)21(31)12-16-9-11-30-22(13-16)27-24(28-30)17-6-4-3-5-7-17/h3-8,10,14-16H,9,11-13H2,1-2H3
InChIKeyFNSQHIVJGNNQIP-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.58
Rot. Bonds6

About 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 157335364) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
PubChem CID157335364
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)c1
InChIInChI=1S/C24H24N6O2/c1-29-23(19(15-26-29)20-14-18(32-2)8-10-25-20)21(31)12-16-9-11-30-22(13-16)27-24(28-30)17-6-4-3-5-7-17/h3-8,10,14-16H,9,11-13H2,1-2H3
InChIKeyFNSQHIVJGNNQIP-UHFFFAOYSA-N
XLogP3.58
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 157335364) is 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is COc1ccnc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)c1.
What is the InChIKey of 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is FNSQHIVJGNNQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-29-23(19(15-26-29)20-14-18(32-2)8-10-25-20)21(31)12-16-9-11-30-22(13-16)27-24(28-30)17-6-4-3-5-7-17/h3-8,10,14-16H,9,11-13H2,1-2H3.
What are the key properties of 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 428.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 157335364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).