4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one

C25H31N5O2 — CID 45272888

IUPAC4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc2n1CC1CCCCC1
InChIInChI=1S/C25H31N5O2/c31-25-23(27-16-18-10-14-32-15-11-18)28-22-7-6-21(20-8-12-26-13-9-20)29-24(22)30(25)17-19-4-2-1-3-5-19/h6-9,12-13,18-19H,1-5,10-11,14-17H2,(H,27,28)
InChIKeyXJDPFZZXEVNDLY-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.27
Rot. Bonds6

About 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one (PubChem CID 45272888) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one
PubChem CID45272888
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc2n1CC1CCCCC1
InChIInChI=1S/C25H31N5O2/c31-25-23(27-16-18-10-14-32-15-11-18)28-22-7-6-21(20-8-12-26-13-9-20)29-24(22)30(25)17-19-4-2-1-3-5-19/h6-9,12-13,18-19H,1-5,10-11,14-17H2,(H,27,28)
InChIKeyXJDPFZZXEVNDLY-UHFFFAOYSA-N
XLogP4.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267764
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
(R)-1-(4-(4-(3-methylmorpholino)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-3-yl)urea
CID 46884582
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
US10251893, Cpd 166
CID 58447954
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11812296
2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192864
2-[N-methyl-4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192865
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-pyrido[2,3-e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10340882
N-(6-Amino-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10548542

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one (CID 45272888) is 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one is O=c1c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc2n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is XJDPFZZXEVNDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-25-23(27-16-18-10-14-32-15-11-18)28-22-7-6-21(20-8-12-26-13-9-20)29-24(22)30(25)17-19-4-2-1-3-5-19/h6-9,12-13,18-19H,1-5,10-11,14-17H2,(H,27,28).
What are the key properties of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 433.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-pyridin-4-ylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45272888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).