(2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C24H30N6O2 — CID 153444562

IUPAC(2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCOc1cccc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c1
InChIInChI=1S/C24H30N6O2/c1-15(2)23-24(31)28-22-16(3)27-21(10-20(22)29(23)4)25-11-18-12-26-30(14-18)13-17-7-6-8-19(9-17)32-5/h6-10,12,14-15,23H,11,13H2,1-5H3,(H,25,27)(H,28,31)/t23-/m0/s1
InChIKeyHMAFUVYYODHDAK-QHCPKHFHSA-N
MW434.54 g/mol
LogP3.67
Rot. Bonds7

About (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

(2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 153444562) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name(2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID153444562
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name(2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCOc1cccc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c1
InChIInChI=1S/C24H30N6O2/c1-15(2)23-24(31)28-22-16(3)27-21(10-20(22)29(23)4)25-11-18-12-26-30(14-18)13-17-7-6-8-19(9-17)32-5/h6-10,12,14-15,23H,11,13H2,1-5H3,(H,25,27)(H,28,31)/t23-/m0/s1
InChIKeyHMAFUVYYODHDAK-QHCPKHFHSA-N
XLogP3.67
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one with MolForge

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Related Compounds

7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203205
3-[[4-[[[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]amino]methyl]pyrazol-1-yl]methyl]benzonitrile
CID 153444698
7-[[1-[(2,4-difluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203545
(2S)-7-[[1-[(2,4-difluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444639
(2S)-7-[[1-[(3-fluoro-4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202806
(2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
CID 167611725
(2S)-7-[[1-[(5-fluoro-2-methyl-4-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444741
(2S)-7-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444585
7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203333
1,5-dimethyl-2-propan-2-yl-7-[[1-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 166645110
(2S)-7-[[1-[(4,5-difluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203165
(2S)-7-[[1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203275

Frequently Asked Questions

What is the IUPAC name of (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 153444562) is (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is COc1cccc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c1.
What is the InChIKey of (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is HMAFUVYYODHDAK-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15(2)23-24(31)28-22-16(3)27-21(10-20(22)29(23)4)25-11-18-12-26-30(14-18)13-17-7-6-8-19(9-17)32-5/h6-10,12,14-15,23H,11,13H2,1-5H3,(H,25,27)(H,28,31)/t23-/m0/s1.
What are the key properties of (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
(2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 434.54 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 153444562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).