2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C22H28F2N6O — CID 146202613

IUPAC2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(C[C@@H]3CCC(F)(F)C3)c2)cc2c1NC(=O)C(C1CC1)N2C
InChIInChI=1S/C22H28F2N6O/c1-13-19-17(29(2)20(16-3-4-16)21(31)28-19)7-18(27-13)25-9-15-10-26-30(12-15)11-14-5-6-22(23,24)8-14/h7,10,12,14,16,20H,3-6,8-9,11H2,1-2H3,(H,25,27)(H,28,31)/t14-,20?/m1/s1
InChIKeyOBISLMUZKYRELM-QMRFKDRMSA-N
MW430.50 g/mol
LogP3.80
Rot. Bonds6

About 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146202613) has the molecular formula C22H28F2N6O and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID146202613
Molecular FormulaC22H28F2N6O
Molecular Weight430.50 g/mol
Exact Mass430.23
IUPAC Name2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(C[C@@H]3CCC(F)(F)C3)c2)cc2c1NC(=O)C(C1CC1)N2C
InChIInChI=1S/C22H28F2N6O/c1-13-19-17(29(2)20(16-3-4-16)21(31)28-19)7-18(27-13)25-9-15-10-26-30(12-15)11-14-5-6-22(23,24)8-14/h7,10,12,14,16,20H,3-6,8-9,11H2,1-2H3,(H,25,27)(H,28,31)/t14-,20?/m1/s1
InChIKeyOBISLMUZKYRELM-QMRFKDRMSA-N
XLogP3.80
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-7-[[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]methylamino]-2-ethyl-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;sulfane
CID 161023089
(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
(2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444603
(2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one;sulfane
CID 162256555
2-[[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]methylamino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
CID 146203381
(7S)-2-[[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]methylamino]-7-ethyl-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 146202386
(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-[(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)-1,2,5-trimethyl-7-[[1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202588
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
(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-[(6-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
CID 167632276

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146202613) is 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2cnn(C[C@@H]3CCC(F)(F)C3)c2)cc2c1NC(=O)C(C1CC1)N2C.
What is the InChIKey of 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is OBISLMUZKYRELM-QMRFKDRMSA-N. The full InChI is InChI=1S/C22H28F2N6O/c1-13-19-17(29(2)20(16-3-4-16)21(31)28-19)7-18(27-13)25-9-15-10-26-30(12-15)11-14-5-6-22(23,24)8-14/h7,10,12,14,16,20H,3-6,8-9,11H2,1-2H3,(H,25,27)(H,28,31)/t14-,20?/m1/s1.
What are the key properties of 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 430.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-[[1-[[(1R)-3,3-difluorocyclopentyl]methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146202613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).