1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride

C25H24ClF2N7O — CID 139328412

IUPAC1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride
SMILESCc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4F)c2=O)[C@H](C)NCC3)ccc1F.Cl
InChIInChI=1S/C25H23F2N7O.ClH/c1-14-12-16(4-5-18(14)26)34-24(22-15(2)28-9-8-19(22)30-34)33-11-10-32(25(33)35)21-7-6-20-17(23(21)27)13-29-31(20)3;/h4-7,10-13,15,28H,8-9H2,1-3H3;1H/t15-;/m0./s1
InChIKeyOGYKZGYLOZJXTL-RSAXXLAASA-N
MW511.96 g/mol
LogP3.92
Rot. Bonds3

About 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride

1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride (PubChem CID 139328412) has the molecular formula C25H24ClF2N7O and a molecular weight of 511.96 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride
PubChem CID139328412
Molecular FormulaC25H24ClF2N7O
Molecular Weight511.96 g/mol
Exact Mass511.17
IUPAC Name1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride
SMILESCc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4F)c2=O)[C@H](C)NCC3)ccc1F.Cl
InChIInChI=1S/C25H23F2N7O.ClH/c1-14-12-16(4-5-18(14)26)34-24(22-15(2)28-9-8-19(22)30-34)33-11-10-32(25(33)35)21-7-6-20-17(23(21)27)13-29-31(20)3;/h4-7,10-13,15,28H,8-9H2,1-3H3;1H/t15-;/m0./s1
InChIKeyOGYKZGYLOZJXTL-RSAXXLAASA-N
XLogP3.92
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.96
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride?
The IUPAC name of 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride (CID 139328412) is 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride.
What is the SMILES notation for 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride?
The canonical SMILES for 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride is Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C)c4F)c2=O)[C@H](C)NCC3)ccc1F.Cl.
What is the InChIKey of 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride?
The InChIKey is OGYKZGYLOZJXTL-RSAXXLAASA-N. The full InChI is InChI=1S/C25H23F2N7O.ClH/c1-14-12-16(4-5-18(14)26)34-24(22-15(2)28-9-8-19(22)30-34)33-11-10-32(25(33)35)21-7-6-20-17(23(21)27)13-29-31(20)3;/h4-7,10-13,15,28H,8-9H2,1-3H3;1H/t15-;/m0./s1.
What are the key properties of 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride?
1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride has a molecular weight of 511.96 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride is sourced from PubChem (CID 139328412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).