(2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C23H26FN7O — CID 153444537

IUPAC(2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1ncc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C3CC3)N4C)cn2)cc1F
InChIInChI=1S/C23H26FN7O/c1-13-18(24)6-15(8-25-13)11-31-12-16(10-27-31)9-26-20-7-19-21(14(2)28-20)29-23(32)22(30(19)3)17-4-5-17/h6-8,10,12,17,22H,4-5,9,11H2,1-3H3,(H,26,28)(H,29,32)/t22-/m0/s1
InChIKeyLQKJWGIDPLZGFK-QFIPXVFZSA-N
MW435.51 g/mol
LogP3.26
Rot. Bonds6

About (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

(2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 153444537) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID153444537
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name(2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1ncc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C3CC3)N4C)cn2)cc1F
InChIInChI=1S/C23H26FN7O/c1-13-18(24)6-15(8-25-13)11-31-12-16(10-27-31)9-26-20-7-19-21(14(2)28-20)29-23(32)22(30(19)3)17-4-5-17/h6-8,10,12,17,22H,4-5,9,11H2,1-3H3,(H,26,28)(H,29,32)/t22-/m0/s1
InChIKeyLQKJWGIDPLZGFK-QFIPXVFZSA-N
XLogP3.26
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-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)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 153444537) is (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1ncc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)[C@H](C3CC3)N4C)cn2)cc1F.
What is the InChIKey of (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is LQKJWGIDPLZGFK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-13-18(24)6-15(8-25-13)11-31-12-16(10-27-31)9-26-20-7-19-21(14(2)28-20)29-23(32)22(30(19)3)17-4-5-17/h6-8,10,12,17,22H,4-5,9,11H2,1-3H3,(H,26,28)(H,29,32)/t22-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
(2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 435.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 153444537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).