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

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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).