1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone

C25H25N5O — CID 158442584

IUPAC1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
SMILESCc1ccc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)nc1
InChIInChI=1S/C25H25N5O/c1-17-8-9-21(26-14-17)20-15-27-29(2)25(20)23(31)12-18-10-11-30-16-22(28-24(30)13-18)19-6-4-3-5-7-19/h3-9,14-16,18H,10-13H2,1-2H3
InChIKeyJLPDRFRHIULATC-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.49
Rot. Bonds5

About 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone

1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone (PubChem CID 158442584) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
PubChem CID158442584
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
SMILESCc1ccc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)nc1
InChIInChI=1S/C25H25N5O/c1-17-8-9-21(26-14-17)20-15-27-29(2)25(20)23(31)12-18-10-11-30-16-22(28-24(30)13-18)19-6-4-3-5-7-19/h3-9,14-16,18H,10-13H2,1-2H3
InChIKeyJLPDRFRHIULATC-UHFFFAOYSA-N
XLogP4.49
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone (CID 158442584) is 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone is Cc1ccc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)nc1.
What is the InChIKey of 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?
The InChIKey is JLPDRFRHIULATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-17-8-9-21(26-14-17)20-15-27-29(2)25(20)23(31)12-18-10-11-30-16-22(28-24(30)13-18)19-6-4-3-5-7-19/h3-9,14-16,18H,10-13H2,1-2H3.
What are the key properties of 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?
1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone has a molecular weight of 411.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 158442584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).