4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

C26H31F2N5O2 — CID 24883368

IUPAC4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)c(F)c3)nc2n1CC1CCCCC1
InChIInChI=1S/C26H31F2N5O2/c27-20-7-6-19(16-21(20)28)22-8-9-23-25(31-22)33(17-18-4-2-1-3-5-18)26(34)24(30-23)29-10-11-32-12-14-35-15-13-32/h6-9,16,18H,1-5,10-15,17H2,(H,29,30)
InChIKeyZUYOZVOKOLYQCI-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.06
Rot. Bonds7

About 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (PubChem CID 24883368) has the molecular formula C26H31F2N5O2 and a molecular weight of 483.56 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
PubChem CID24883368
Molecular FormulaC26H31F2N5O2
Molecular Weight483.56 g/mol
Exact Mass483.24
IUPAC Name4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)c(F)c3)nc2n1CC1CCCCC1
InChIInChI=1S/C26H31F2N5O2/c27-20-7-6-19(16-21(20)28)22-8-9-23-25(31-22)33(17-18-4-2-1-3-5-18)26(34)24(30-23)29-10-11-32-12-14-35-15-13-32/h6-9,16,18H,1-5,10-15,17H2,(H,29,30)
InChIKeyZUYOZVOKOLYQCI-UHFFFAOYSA-N
XLogP4.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
CID 45269493
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one
CID 70318201
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(oxolan-2-ylamino)pyrido[2,3-b]pyrazin-3-one
CID 70318202
6-(3,4-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-4-(2-propan-2-yloxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 70316906
6-(4-fluorophenyl)-2-(oxan-4-ylmethylamino)-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one
CID 45269469
6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 69397595
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449691
N-cyclohexyl-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-4-amine
CID 69186801
7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 143336573
tert-butyl 4-[[[4-[(3,5-difluorophenyl)methyl]-6-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 70317137
6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-phenylpyrido[3,2-d]pyrimidin-2-amine
CID 68912505
N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide
CID 70318290

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one (CID 24883368) is 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is O=c1c(NCCN2CCOCC2)nc2ccc(-c3ccc(F)c(F)c3)nc2n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZUYOZVOKOLYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N5O2/c27-20-7-6-19(16-21(20)28)22-8-9-23-25(31-22)33(17-18-4-2-1-3-5-18)26(34)24(30-23)29-10-11-32-12-14-35-15-13-32/h6-9,16,18H,1-5,10-15,17H2,(H,29,30).
What are the key properties of 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 483.56 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 24883368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).