6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid

C25H22FN5O4 — CID 156848048

IUPAC6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid
SMILESCc1cccnc1OC[C@H]1CCCN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1cnccn1
InChIInChI=1S/C25H22FN5O4/c1-15-4-2-6-29-24(15)35-14-16-5-3-9-30(16)21-11-20-17(10-19(21)26)23(32)18(25(33)34)13-31(20)22-12-27-7-8-28-22/h2,4,6-8,10-13,16H,3,5,9,14H2,1H3,(H,33,34)/t16-/m1/s1
InChIKeyHGMPYJGCPAYKLX-MRXNPFEDSA-N
MW475.48 g/mol
LogP3.37
Rot. Bonds6

About 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid

6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid (PubChem CID 156848048) has the molecular formula C25H22FN5O4 and a molecular weight of 475.48 g/mol. Its IUPAC name is 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid
PubChem CID156848048
Molecular FormulaC25H22FN5O4
Molecular Weight475.48 g/mol
Exact Mass475.17
IUPAC Name6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid
SMILESCc1cccnc1OC[C@H]1CCCN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1cnccn1
InChIInChI=1S/C25H22FN5O4/c1-15-4-2-6-29-24(15)35-14-16-5-3-9-30(16)21-11-20-17(10-19(21)26)23(32)18(25(33)34)13-31(20)22-12-27-7-8-28-22/h2,4,6-8,10-13,16H,3,5,9,14H2,1H3,(H,33,34)/t16-/m1/s1
InChIKeyHGMPYJGCPAYKLX-MRXNPFEDSA-N
XLogP3.37
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-1-(3-methoxycyclobutyl)-7-[2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 175419106
ethyl 6-fluoro-7-[2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-(oxan-4-yl)-4-oxoquinoline-3-carboxylate
CID 156848037
1-[6-(azetidin-1-yl)-3-pyridinyl]-6-chloro-7-[(2R)-2-[(3-fluoro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 156848011
6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-(1,5-dimethylpyrazol-4-yl)-4-oxoquinoline-3-carboxylic acid
CID 156848044
6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-[5-(2-hydroxyethoxy)pyrazin-2-yl]-4-oxoquinoline-3-carboxylic acid
CID 156848718
6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-(1H-imidazol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 156847965
6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid
CID 156848794
6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-[5-(2-methoxyethylamino)pyrazin-2-yl]-4-oxoquinoline-3-carboxylic acid
CID 156847855
6-cyano-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-7-[(2R)-2-[(3-fluoro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 156848225
1-(3-chloro-4-hydroxyphenyl)-6-fluoro-4-oxo-7-[2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 156848092
6-chloro-7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-1-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
CID 156848812
1-cyclobutyl-6-fluoro-4-oxo-7-[(2R)-2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 156848618

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid (CID 156848048) is 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid is Cc1cccnc1OC[C@H]1CCCN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1cnccn1.
What is the InChIKey of 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid?
The InChIKey is HGMPYJGCPAYKLX-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H22FN5O4/c1-15-4-2-6-29-24(15)35-14-16-5-3-9-30(16)21-11-20-17(10-19(21)26)23(32)18(25(33)34)13-31(20)22-12-27-7-8-28-22/h2,4,6-8,10-13,16H,3,5,9,14H2,1H3,(H,33,34)/t16-/m1/s1.
What are the key properties of 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid?
6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid has a molecular weight of 475.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(2R)-2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 156848048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).