(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

C23H28FN7O — CID 153444741

IUPAC(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
SMILESCc1cc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c(F)cn1
InChIInChI=1S/C23H28FN7O/c1-13(2)22-23(32)29-21-15(4)28-20(7-19(21)30(22)5)26-8-16-9-27-31(11-16)12-17-6-14(3)25-10-18(17)24/h6-7,9-11,13,22H,8,12H2,1-5H3,(H,26,28)(H,29,32)/t22-/m0/s1
InChIKeyJYPHXSOTDISPOS-QFIPXVFZSA-N
MW437.52 g/mol
LogP3.50
Rot. Bonds6

About (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

(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 (PubChem CID 153444741) has the molecular formula C23H28FN7O and a molecular weight of 437.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID153444741
Molecular FormulaC23H28FN7O
Molecular Weight437.52 g/mol
Exact Mass437.23
IUPAC Name(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
SMILESCc1cc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c(F)cn1
InChIInChI=1S/C23H28FN7O/c1-13(2)22-23(32)29-21-15(4)28-20(7-19(21)30(22)5)26-8-16-9-27-31(11-16)12-17-6-14(3)25-10-18(17)24/h6-7,9-11,13,22H,8,12H2,1-5H3,(H,26,28)(H,29,32)/t22-/m0/s1
InChIKeyJYPHXSOTDISPOS-QFIPXVFZSA-N
XLogP3.50
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C(C)C)N4C)cn2)c(F)cn1.
What is the InChIKey of (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?
The InChIKey is JYPHXSOTDISPOS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28FN7O/c1-13(2)22-23(32)29-21-15(4)28-20(7-19(21)30(22)5)26-8-16-9-27-31(11-16)12-17-6-14(3)25-10-18(17)24/h6-7,9-11,13,22H,8,12H2,1-5H3,(H,26,28)(H,29,32)/t22-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 437.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 153444741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).