1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one

C27H25F2N7O — CID 176945009

IUPAC1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
SMILESCc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C5CC5)c4F)c2=O)CNCC3)cc(C)c1F
InChIInChI=1S/C27H25F2N7O/c1-15-11-18(12-16(2)24(15)28)36-26(19-13-30-8-7-21(19)32-36)34-10-9-33(27(34)37)23-6-5-22-20(25(23)29)14-31-35(22)17-3-4-17/h5-6,9-12,14,17,30H,3-4,7-8,13H2,1-2H3
InChIKeyPNGUHXSHRJPHHH-UHFFFAOYSA-N
MW501.54 g/mol
LogP4.04
Rot. Bonds4

About 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one

1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one (PubChem CID 176945009) has the molecular formula C27H25F2N7O and a molecular weight of 501.54 g/mol. Its IUPAC name is 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one.

Molecular Properties

Compound Name1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
PubChem CID176945009
Molecular FormulaC27H25F2N7O
Molecular Weight501.54 g/mol
Exact Mass501.21
IUPAC Name1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
SMILESCc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C5CC5)c4F)c2=O)CNCC3)cc(C)c1F
InChIInChI=1S/C27H25F2N7O/c1-15-11-18(12-16(2)24(15)28)36-26(19-13-30-8-7-21(19)32-36)34-10-9-33(27(34)37)23-6-5-22-20(25(23)29)14-31-35(22)17-3-4-17/h5-6,9-12,14,17,30H,3-4,7-8,13H2,1-2H3
InChIKeyPNGUHXSHRJPHHH-UHFFFAOYSA-N
XLogP4.04
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?
The IUPAC name of 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one (CID 176945009) is 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one.
What is the SMILES notation for 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?
The canonical SMILES for 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one is Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C5CC5)c4F)c2=O)CNCC3)cc(C)c1F.
What is the InChIKey of 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?
The InChIKey is PNGUHXSHRJPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N7O/c1-15-11-18(12-16(2)24(15)28)36-26(19-13-30-8-7-21(19)32-36)34-10-9-33(27(34)37)23-6-5-22-20(25(23)29)14-31-35(22)17-3-4-17/h5-6,9-12,14,17,30H,3-4,7-8,13H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?
1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one has a molecular weight of 501.54 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-4-fluoroindazol-5-yl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one is sourced from PubChem (CID 176945009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).