1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid

C20H18F2N4O3 — CID 139633261

IUPAC1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCc1[nH]nc2c1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)CC2
InChIInChI=1S/C20H18F2N4O3/c1-9-12-7-25(5-4-15(12)24-23-9)18-14(21)6-11-17(16(18)22)26(10-2-3-10)8-13(19(11)27)20(28)29/h6,8,10H,2-5,7H2,1H3,(H,23,24)(H,28,29)
InChIKeyFMQPDZZRMNTCNT-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.91
Rot. Bonds3

About 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 139633261) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID139633261
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCc1[nH]nc2c1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)CC2
InChIInChI=1S/C20H18F2N4O3/c1-9-12-7-25(5-4-15(12)24-23-9)18-14(21)6-11-17(16(18)22)26(10-2-3-10)8-13(19(11)27)20(28)29/h6,8,10H,2-5,7H2,1H3,(H,23,24)(H,28,29)
InChIKeyFMQPDZZRMNTCNT-UHFFFAOYSA-N
XLogP2.91
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

7-fluoro-2-methyl-6-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 139633306
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
1-cyclopropyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14476717
1-cyclopropyl-6-fluoro-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14052587
1-cyclopropyl-7-(3-ethyl-3-hydroxyazetidin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10067318
1-cyclopropyl-6,8-difluoro-7-[(1S,5S,6S)-6-hydroxy-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxoquinoline-3-carboxylic acid
CID 70204380
[1-(3-carboxy-1-cyclopropyl-6,8-difluoro-4-oxoquinolin-7-yl)-3-methylazetidin-3-yl]-trimethylazanium iodide
CID 10029612
1-cyclopropyl-6,8-difluoro-7-(6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 21475413
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-[(3S,4Z)-3-amino-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 101072494
7-(3-amino-2,2-dimethylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10021592
7-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 67881068

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid (CID 139633261) is 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid is Cc1[nH]nc2c1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)CC2.
What is the InChIKey of 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is FMQPDZZRMNTCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-9-12-7-25(5-4-15(12)24-23-9)18-14(21)6-11-17(16(18)22)26(10-2-3-10)8-13(19(11)27)20(28)29/h6,8,10H,2-5,7H2,1H3,(H,23,24)(H,28,29).
What are the key properties of 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 400.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,8-difluoro-7-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139633261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).