2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine

C22H23ClN4O — CID 169007860

IUPAC2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESCOc1cccc2c1CN(C1CCc3nn(-c4ccccc4Cl)c(N)c3C1)C2
InChIInChI=1S/C22H23ClN4O/c1-28-21-8-4-5-14-12-26(13-17(14)21)15-9-10-19-16(11-15)22(24)27(25-19)20-7-3-2-6-18(20)23/h2-8,15H,9-13,24H2,1H3
InChIKeyULCPHGVIFVBREO-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine

2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 169007860) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID169007860
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESCOc1cccc2c1CN(C1CCc3nn(-c4ccccc4Cl)c(N)c3C1)C2
InChIInChI=1S/C22H23ClN4O/c1-28-21-8-4-5-14-12-26(13-17(14)21)15-9-10-19-16(11-15)22(24)27(25-19)20-7-3-2-6-18(20)23/h2-8,15H,9-13,24H2,1H3
InChIKeyULCPHGVIFVBREO-UHFFFAOYSA-N
XLogP3.99
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-isocyanophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-3-methyl-4,5,6,7-tetrahydroindazole
CID 169007857
2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile
CID 166845771
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methylpiperazine
CID 14181059
methyl 2-[2-(2-chlorophenyl)-5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-3-yl]acetate
CID 156786744
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperazine;dihydrochloride
CID 67828788
4-methoxy-1,3-dihydroisoindol-2-amine
CID 125426011
5-methoxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-2-amine
CID 105456525
2-(2-chlorophenyl)-5-(4-fluoro-7-isocyano-1-methyl-1,3-dihydroisoindol-2-yl)-3-methyl-4,5,6,7-tetrahydroindazole
CID 169007837
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
CID 112723099
[(5R)-1-ethyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26140211

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine (CID 169007860) is 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine is COc1cccc2c1CN(C1CCc3nn(-c4ccccc4Cl)c(N)c3C1)C2.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is ULCPHGVIFVBREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-28-21-8-4-5-14-12-26(13-17(14)21)15-9-10-19-16(11-15)22(24)27(25-19)20-7-3-2-6-18(20)23/h2-8,15H,9-13,24H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine?
2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 394.91 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-methoxy-1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 169007860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).