4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile

C25H18FN5O — CID 141400526

IUPAC4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1
InChIInChI=1S/C25H18FN5O/c1-32-21-6-7-23-22(11-21)25(18(12-27)13-28-23)30-20-5-8-24-17(10-20)14-29-31(24)15-16-3-2-4-19(26)9-16/h2-11,13-14H,15H2,1H3,(H,28,30)
InChIKeyHCPXRRDYIKDIGX-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.40
Rot. Bonds5

About 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile

4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile (PubChem CID 141400526) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile
PubChem CID141400526
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC Name4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1
InChIInChI=1S/C25H18FN5O/c1-32-21-6-7-23-22(11-21)25(18(12-27)13-28-23)30-20-5-8-24-17(10-20)14-29-31(24)15-16-3-2-4-19(26)9-16/h2-11,13-14H,15H2,1H3,(H,28,30)
InChIKeyHCPXRRDYIKDIGX-UHFFFAOYSA-N
XLogP5.40
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-N-((1R,2S)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)-1-(quinolin-3-yl)propan-2-yl)acetamide
CID 59339621
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
8-ethoxy-3-(3-methoxyphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990640
5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179532
5-Methyl-4-(4-phenoxy-phenylamino)-6-phenylamino-pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 22179638
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223243
6-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrile
CID 44328166
6-methoxy-2-methyl-N-(pyridin-4-ylmethylideneamino)quinolin-4-amine
CID 44537047
5-(4-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 44574273
5-(3-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 44574310
5-(2-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 44574311

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile?
The IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile (CID 141400526) is 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile is COc1ccc2ncc(C#N)c(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1.
What is the InChIKey of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile?
The InChIKey is HCPXRRDYIKDIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/c1-32-21-6-7-23-22(11-21)25(18(12-27)13-28-23)30-20-5-8-24-17(10-20)14-29-31(24)15-16-3-2-4-19(26)9-16/h2-11,13-14H,15H2,1H3,(H,28,30).
What are the key properties of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile?
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile has a molecular weight of 423.45 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-6-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 141400526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).