7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one

C23H28FN5O3 — CID 70319470

IUPAC7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NC2CCC(O)CC2)nc2cnc(-c3ccnc(F)c3)cc21
InChIInChI=1S/C23H28FN5O3/c1-2-10-32-11-9-29-20-13-18(15-7-8-25-21(24)12-15)26-14-19(20)28-22(23(29)31)27-16-3-5-17(30)6-4-16/h7-8,12-14,16-17,30H,2-6,9-11H2,1H3,(H,27,28)
InChIKeyVLRUAADZWGYTNL-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.13
Rot. Bonds8

About 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one

7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 70319470) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID70319470
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NC2CCC(O)CC2)nc2cnc(-c3ccnc(F)c3)cc21
InChIInChI=1S/C23H28FN5O3/c1-2-10-32-11-9-29-20-13-18(15-7-8-25-21(24)12-15)26-14-19(20)28-22(23(29)31)27-16-3-5-17(30)6-4-16/h7-8,12-14,16-17,30H,2-6,9-11H2,1H3,(H,27,28)
InChIKeyVLRUAADZWGYTNL-UHFFFAOYSA-N
XLogP3.13
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydroxycyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992634
7-(1,3-benzodioxol-5-yl)-3-[(4-hydroxycyclohexyl)amino]-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrido[3,4-b]pyrazin-2-one
CID 70315634
1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one
CID 143336660
3-(3-hydroxypropylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992528
1,1,1-trifluoro-N-[3-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]propyl]methanesulfonamide
CID 70315225
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one
CID 11993462
tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate
CID 70317979
3-[2-[[methoxy(methyl)phosphanyl]amino]ethylamino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 143336664
7-(2,3-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 24964710
3-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(4-propan-2-yloxyphenyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 24964351
7-(6-methoxy-3-pyridinyl)-3-[methyl-[2-(methylamino)ethyl]amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 70316196
3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11993564

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 70319470) is 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(NC2CCC(O)CC2)nc2cnc(-c3ccnc(F)c3)cc21.
What is the InChIKey of 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is VLRUAADZWGYTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-2-10-32-11-9-29-20-13-18(15-7-8-25-21(24)12-15)26-14-19(20)28-22(23(29)31)27-16-3-5-17(30)6-4-16/h7-8,12-14,16-17,30H,2-6,9-11H2,1H3,(H,27,28).
What are the key properties of 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 441.51 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 70319470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).