(7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one

C20H21F2N7O2 — CID 146195230

IUPAC(7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCOc1c(F)cc(Cn2cc(CNc3ncc4c(n3)N(C)[C@@H](C)C(=O)N4)cn2)cc1F
InChIInChI=1S/C20H21F2N7O2/c1-11-19(30)26-16-8-24-20(27-18(16)28(11)2)23-6-13-7-25-29(10-13)9-12-4-14(21)17(31-3)15(22)5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,26,30)(H,23,24,27)/t11-/m0/s1
InChIKeyHPMUTLMCWKABSF-NSHDSACASA-N
MW429.43 g/mol
LogP2.40
Rot. Bonds6

About (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one

(7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one (PubChem CID 146195230) has the molecular formula C20H21F2N7O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one
PubChem CID146195230
Molecular FormulaC20H21F2N7O2
Molecular Weight429.43 g/mol
Exact Mass429.17
IUPAC Name(7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one
SMILESCOc1c(F)cc(Cn2cc(CNc3ncc4c(n3)N(C)[C@@H](C)C(=O)N4)cn2)cc1F
InChIInChI=1S/C20H21F2N7O2/c1-11-19(30)26-16-8-24-20(27-18(16)28(11)2)23-6-13-7-25-29(10-13)9-12-4-14(21)17(31-3)15(22)5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,26,30)(H,23,24,27)/t11-/m0/s1
InChIKeyHPMUTLMCWKABSF-NSHDSACASA-N
XLogP2.40
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one (CID 146195230) is (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one is COc1c(F)cc(Cn2cc(CNc3ncc4c(n3)N(C)[C@@H](C)C(=O)N4)cn2)cc1F.
What is the InChIKey of (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one?
The InChIKey is HPMUTLMCWKABSF-NSHDSACASA-N. The full InChI is InChI=1S/C20H21F2N7O2/c1-11-19(30)26-16-8-24-20(27-18(16)28(11)2)23-6-13-7-25-29(10-13)9-12-4-14(21)17(31-3)15(22)5-12/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,26,30)(H,23,24,27)/t11-/m0/s1.
What are the key properties of (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one?
(7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one has a molecular weight of 429.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-7,8-dimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146195230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).