(4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

C19H16FN5O4 — CID 69109043

IUPAC(4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESCn1ncc2c1CN(C(=O)O)[C@H]2C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C19H16FN5O4/c1-23-15-10-25(19(28)29)17(12(15)9-21-23)18(27)22-14-6-5-11(8-13(14)20)24-7-3-2-4-16(24)26/h2-9,17H,10H2,1H3,(H,22,27)(H,28,29)/t17-/m1/s1
InChIKeyGSBSWWJGJCHBKO-QGZVFWFLSA-N
MW397.37 g/mol
LogP1.88
Rot. Bonds3

About (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

(4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (PubChem CID 69109043) has the molecular formula C19H16FN5O4 and a molecular weight of 397.37 g/mol. Its IUPAC name is (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
PubChem CID69109043
Molecular FormulaC19H16FN5O4
Molecular Weight397.37 g/mol
Exact Mass397.12
IUPAC Name(4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESCn1ncc2c1CN(C(=O)O)[C@H]2C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C19H16FN5O4/c1-23-15-10-25(19(28)29)17(12(15)9-21-23)18(27)22-14-6-5-11(8-13(14)20)24-7-3-2-4-16(24)26/h2-9,17H,10H2,1H3,(H,22,27)(H,28,29)/t17-/m1/s1
InChIKeyGSBSWWJGJCHBKO-QGZVFWFLSA-N
XLogP1.88
TPSA109.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide
CID 71081012
tert-butyl 1-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1,3-dihydroisoindole-2-carboxylate
CID 68747945
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
(4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 71220095
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 141145339
(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
2-N-(5-chloro-2-pyridinyl)-1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 58878306
ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 69114943
(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
CID 68686788
tert-butyl 7-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 69109610

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The IUPAC name of (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (CID 69109043) is (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The canonical SMILES for (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is Cn1ncc2c1CN(C(=O)O)[C@H]2C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The InChIKey is GSBSWWJGJCHBKO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16FN5O4/c1-23-15-10-25(19(28)29)17(12(15)9-21-23)18(27)22-14-6-5-11(8-13(14)20)24-7-3-2-4-16(24)26/h2-9,17H,10H2,1H3,(H,22,27)(H,28,29)/t17-/m1/s1.
What are the key properties of (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
(4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid has a molecular weight of 397.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 69109043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).