(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

C24H28F2N6O2 — CID 153444639

IUPAC(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
SMILESCOc1c(F)ccc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c1F
InChIInChI=1S/C24H28F2N6O2/c1-13(2)22-24(33)30-21-14(3)29-19(8-18(21)31(22)4)27-9-15-10-28-32(11-15)12-16-6-7-17(25)23(34-5)20(16)26/h6-8,10-11,13,22H,9,12H2,1-5H3,(H,27,29)(H,30,33)/t22-/m0/s1
InChIKeyAVWJJCUUYAJOFT-QFIPXVFZSA-N
MW470.52 g/mol
LogP3.95
Rot. Bonds7

About (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

(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 (PubChem CID 153444639) has the molecular formula C24H28F2N6O2 and a molecular weight of 470.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID153444639
Molecular FormulaC24H28F2N6O2
Molecular Weight470.52 g/mol
Exact Mass470.22
IUPAC Name(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
SMILESCOc1c(F)ccc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c1F
InChIInChI=1S/C24H28F2N6O2/c1-13(2)22-24(33)30-21-14(3)29-19(8-18(21)31(22)4)27-9-15-10-28-32(11-15)12-16-6-7-17(25)23(34-5)20(16)26/h6-8,10-11,13,22H,9,12H2,1-5H3,(H,27,29)(H,30,33)/t22-/m0/s1
InChIKeyAVWJJCUUYAJOFT-QFIPXVFZSA-N
XLogP3.95
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1c(F)ccc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c1F.
What is the InChIKey of (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?
The InChIKey is AVWJJCUUYAJOFT-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28F2N6O2/c1-13(2)22-24(33)30-21-14(3)29-19(8-18(21)31(22)4)27-9-15-10-28-32(11-15)12-16-6-7-17(25)23(34-5)20(16)26/h6-8,10-11,13,22H,9,12H2,1-5H3,(H,27,29)(H,30,33)/t22-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 470.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 153444639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).