[4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

C18H20FN3O3 — CID 163309134

IUPAC[4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1cc(-c2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)cc2)c(N)nc1C
InChIInChI=1S/C18H20FN3O3/c1-10-16(25-2)7-13(17(20)21-10)11-3-5-12(6-4-11)18(24)22-8-14(19)15(23)9-22/h3-7,14-15,23H,8-9H2,1-2H3,(H2,20,21)/t14-,15-/m1/s1
InChIKeyKGPBHOVHLHZZLW-HUUCEWRRSA-N
MW345.37 g/mol
LogP1.80
Rot. Bonds3

About [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone

[4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 163309134) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID163309134
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name[4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1cc(-c2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)cc2)c(N)nc1C
InChIInChI=1S/C18H20FN3O3/c1-10-16(25-2)7-13(17(20)21-10)11-3-5-12(6-4-11)18(24)22-8-14(19)15(23)9-22/h3-7,14-15,23H,8-9H2,1-2H3,(H2,20,21)/t14-,15-/m1/s1
InChIKeyKGPBHOVHLHZZLW-HUUCEWRRSA-N
XLogP1.80
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]methanol
CID 157013064
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[6-(2-fluoro-3-methylphenyl)naphthalen-2-yl]methanone
CID 172661042
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 131889781
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[6-(2-methylsulfanylphenyl)naphthalen-2-yl]methanone
CID 172669795
4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-(imidazo[1,2-a]pyrazin-2-ylmethyl)benzamide
CID 163316845
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 46852471
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 164699560
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
[(3R,4S)-3,4-bis(2-hydroxyethyl)pyrrolidin-1-yl]-(6,7-dimethoxynaphthalen-2-yl)methanone
CID 167852647

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone (CID 163309134) is [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is COc1cc(-c2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)cc2)c(N)nc1C.
What is the InChIKey of [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is KGPBHOVHLHZZLW-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-10-16(25-2)7-13(17(20)21-10)11-3-5-12(6-4-11)18(24)22-8-14(19)15(23)9-22/h3-7,14-15,23H,8-9H2,1-2H3,(H2,20,21)/t14-,15-/m1/s1.
What are the key properties of [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone?
[4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 163309134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).