5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane

C25H31N7O — CID 167600917

IUPAC5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane
SMILESC.Cc1nc(CCc2cnn(Cc3ccc(C#N)nc3)c2)cc2c1NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C24H27N7O.CH4/c1-15(2)23-24(32)29-22-16(3)28-19(9-21(22)30(23)4)7-5-18-12-27-31(14-18)13-17-6-8-20(10-25)26-11-17;/h6,8-9,11-12,14-15,23H,5,7,13H2,1-4H3,(H,29,32);1H4/t23-;/m0./s1
InChIKeyJSMICMDMYJCEOY-BQAIUKQQSA-N
MW445.57 g/mol
LogP3.74
Rot. Bonds6

About 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane

5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane (PubChem CID 167600917) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane.

Molecular Properties

Compound Name5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane
PubChem CID167600917
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane
SMILESC.Cc1nc(CCc2cnn(Cc3ccc(C#N)nc3)c2)cc2c1NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C24H27N7O.CH4/c1-15(2)23-24(32)29-22-16(3)28-19(9-21(22)30(23)4)7-5-18-12-27-31(14-18)13-17-6-8-20(10-25)26-11-17;/h6,8-9,11-12,14-15,23H,5,7,13H2,1-4H3,(H,29,32);1H4/t23-;/m0./s1
InChIKeyJSMICMDMYJCEOY-BQAIUKQQSA-N
XLogP3.74
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane?
The IUPAC name of 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane (CID 167600917) is 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane.
What is the SMILES notation for 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane?
The canonical SMILES for 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane is C.Cc1nc(CCc2cnn(Cc3ccc(C#N)nc3)c2)cc2c1NC(=O)[C@H](C(C)C)N2C.
What is the InChIKey of 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane?
The InChIKey is JSMICMDMYJCEOY-BQAIUKQQSA-N. The full InChI is InChI=1S/C24H27N7O.CH4/c1-15(2)23-24(32)29-22-16(3)28-19(9-21(22)30(23)4)7-5-18-12-27-31(14-18)13-17-6-8-20(10-25)26-11-17;/h6,8-9,11-12,14-15,23H,5,7,13H2,1-4H3,(H,29,32);1H4/t23-;/m0./s1.
What are the key properties of 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane?
5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane has a molecular weight of 445.57 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane is sourced from PubChem (CID 167600917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).