1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

C24H21N5O — CID 58447815

IUPAC1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCc1cc(-c2ncc(CC(=O)Cc3ccc(-c4cnccn4)cn3)cc2C)ccn1
InChIInChI=1S/C24H21N5O/c1-16-9-18(13-29-24(16)19-5-6-26-17(2)10-19)11-22(30)12-21-4-3-20(14-28-21)23-15-25-7-8-27-23/h3-10,13-15H,11-12H2,1-2H3
InChIKeyMDZDDTDHLVSUHK-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.97
Rot. Bonds6

About 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (PubChem CID 58447815) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
PubChem CID58447815
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCc1cc(-c2ncc(CC(=O)Cc3ccc(-c4cnccn4)cn3)cc2C)ccn1
InChIInChI=1S/C24H21N5O/c1-16-9-18(13-29-24(16)19-5-6-26-17(2)10-19)11-22(30)12-21-4-3-20(14-28-21)23-15-25-7-8-27-23/h3-10,13-15H,11-12H2,1-2H3
InChIKeyMDZDDTDHLVSUHK-UHFFFAOYSA-N
XLogP3.97
TPSA81.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one with MolForge

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Related Compounds

Wnt-974
CID 46926973
US10251893, Cpd 128
CID 46927133
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121237481
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
3,7-Dimethyl-2,4-di-pyridin-2-yl-3,7-diaza-bicyclo[3.3.1]nonan-9-one
CID 44278013
N-[(6-fluoro-3-pyridinyl)methyl]-6-[4-(2-pyridin-4-yl-3-pyridinyl)piperazin-1-yl]hexanamide
CID 76284725
N,N-dimethyl-1-(4-pyridin-2-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450392
US10251893, Cpd 84
CID 46926971
US10251893, Cpd 102
CID 46927051
Pyridoclax
CID 92042827
US11458138, Example 291
CID 135368056

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (CID 58447815) is 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is Cc1cc(-c2ncc(CC(=O)Cc3ccc(-c4cnccn4)cn3)cc2C)ccn1.
What is the InChIKey of 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The InChIKey is MDZDDTDHLVSUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-16-9-18(13-29-24(16)19-5-6-26-17(2)10-19)11-22(30)12-21-4-3-20(14-28-21)23-15-25-7-8-27-23/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one has a molecular weight of 395.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 58447815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).