4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one

C25H31N5O3 — CID 45269499

IUPAC4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1ccc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)c[nH]1
InChIInChI=1S/C25H31N5O3/c31-22-9-6-19(15-26-22)20-7-8-21-24(29-20)30(16-18-4-2-1-3-5-18)25(32)23(28-21)27-14-17-10-12-33-13-11-17/h6-9,15,17-18H,1-5,10-14,16H2,(H,26,31)(H,27,28)
InChIKeyHBGRKJQESAMPCD-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.57
Rot. Bonds6

About 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 45269499) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one
PubChem CID45269499
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1ccc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)c[nH]1
InChIInChI=1S/C25H31N5O3/c31-22-9-6-19(15-26-22)20-7-8-21-24(29-20)30(16-18-4-2-1-3-5-18)25(32)23(28-21)27-14-17-10-12-33-13-11-17/h6-9,15,17-18H,1-5,10-14,16H2,(H,26,31)(H,27,28)
InChIKeyHBGRKJQESAMPCD-UHFFFAOYSA-N
XLogP3.57
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclohexylmethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272888
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 24883368
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267744
4-(2-propoxyethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267771
6-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45268626
6-(4-fluorophenyl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45268646
6-(4-fluorophenyl)-4-(pyridin-2-ylmethyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269469
2-(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45269481
6-(6-hydroxypyridin-3-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269515
4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45271142
6-(3,4-difluorophenyl)-4-(2-isopropoxyethyl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272043

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one (CID 45269499) is 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one is O=c1ccc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)c[nH]1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is HBGRKJQESAMPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c31-22-9-6-19(15-26-22)20-7-8-21-24(29-20)30(16-18-4-2-1-3-5-18)25(32)23(28-21)27-14-17-10-12-33-13-11-17/h6-9,15,17-18H,1-5,10-14,16H2,(H,26,31)(H,27,28).
What are the key properties of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 449.56 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(6-oxo-1H-pyridin-3-yl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 45269499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).