(2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane

C24H31FN6O — CID 167627740

IUPAC(2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
SMILESC.Cc1nc(CCc2cnn(Cc3ccncc3F)c2)cc2c1NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C23H27FN6O.CH4/c1-14(2)22-23(31)28-21-15(3)27-18(9-20(21)29(22)4)6-5-16-10-26-30(12-16)13-17-7-8-25-11-19(17)24;/h7-12,14,22H,5-6,13H2,1-4H3,(H,28,31);1H4/t22-;/m0./s1
InChIKeyNIQUXRJOQDYGKQ-FTBISJDPSA-N
MW438.55 g/mol
LogP4.00
Rot. Bonds6

About (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane

(2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane (PubChem CID 167627740) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane.

Molecular Properties

Compound Name(2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
PubChem CID167627740
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name(2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
SMILESC.Cc1nc(CCc2cnn(Cc3ccncc3F)c2)cc2c1NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C23H27FN6O.CH4/c1-14(2)22-23(31)28-21-15(3)27-18(9-20(21)29(22)4)6-5-16-10-26-30(12-16)13-17-7-8-25-11-19(17)24;/h7-12,14,22H,5-6,13H2,1-4H3,(H,28,31);1H4/t22-;/m0./s1
InChIKeyNIQUXRJOQDYGKQ-FTBISJDPSA-N
XLogP4.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane with MolForge

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Related Compounds

5-[[4-[2-[(2S)-1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl]ethyl]pyrazol-1-yl]methyl]pyridine-2-carbonitrile;methane
CID 167600917
(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)-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-7-[2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]ethyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 167619523
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
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
2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 146202956
(2S)-2-cyclopropyl-7-[2-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;sulfane
CID 162126092
(2S)-7-[2-[1-[(6-cyclopropyl-5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]ethyl]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 162008513
(7S)-2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one;sulfane
CID 158753000
2-[[4-[[(1,5-dimethyl-3-oxo-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]methyl]pyrazol-1-yl]methyl]-5-fluorobenzonitrile
CID 146203309

Frequently Asked Questions

What is the IUPAC name of (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane?
The IUPAC name of (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane (CID 167627740) is (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane.
What is the SMILES notation for (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane?
The canonical SMILES for (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane is C.Cc1nc(CCc2cnn(Cc3ccncc3F)c2)cc2c1NC(=O)[C@H](C(C)C)N2C.
What is the InChIKey of (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane?
The InChIKey is NIQUXRJOQDYGKQ-FTBISJDPSA-N. The full InChI is InChI=1S/C23H27FN6O.CH4/c1-14(2)22-23(31)28-21-15(3)27-18(9-20(21)29(22)4)6-5-16-10-26-30(12-16)13-17-7-8-25-11-19(17)24;/h7-12,14,22H,5-6,13H2,1-4H3,(H,28,31);1H4/t22-;/m0./s1.
What are the key properties of (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane?
(2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane has a molecular weight of 438.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[2-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]ethyl]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane is sourced from PubChem (CID 167627740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).