[1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone

C25H29ClN4O2S — CID 146302965

IUPAC[1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
SMILESCC(C)OCCN1CCN(C(=O)c2nn(-c3ccccc3Cl)c3c2CCc2sccc2-3)CC1
InChIInChI=1S/C25H29ClN4O2S/c1-17(2)32-15-14-28-10-12-29(13-11-28)25(31)23-19-7-8-22-18(9-16-33-22)24(19)30(27-23)21-6-4-3-5-20(21)26/h3-6,9,16-17H,7-8,10-15H2,1-2H3
InChIKeyPNGZRMRDDOUGTE-UHFFFAOYSA-N
MW485.05 g/mol
LogP4.54
Rot. Bonds6

About [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone

[1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 146302965) has the molecular formula C25H29ClN4O2S and a molecular weight of 485.05 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
PubChem CID146302965
Molecular FormulaC25H29ClN4O2S
Molecular Weight485.05 g/mol
Exact Mass484.17
IUPAC Name[1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
SMILESCC(C)OCCN1CCN(C(=O)c2nn(-c3ccccc3Cl)c3c2CCc2sccc2-3)CC1
InChIInChI=1S/C25H29ClN4O2S/c1-17(2)32-15-14-28-10-12-29(13-11-28)25(31)23-19-7-8-22-18(9-16-33-22)24(19)30(27-23)21-6-4-3-5-20(21)26/h3-6,9,16-17H,7-8,10-15H2,1-2H3
InChIKeyPNGZRMRDDOUGTE-UHFFFAOYSA-N
XLogP4.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.05
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,6-dichlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 146302982
N-[3-chloro-4-[3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]phenyl]acetamide
CID 146302900
3-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-4,5-dihydrothieno[2,3-g]indazol-1-yl]benzonitrile
CID 146302890
[1-(2,2-dimethylcyclohexyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 146303034
[1-(2-chlorophenyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66578919
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111758263
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 46957093
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
4,5-dihydrothieno[2,3-g][1,2]benzoxazol-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 20943520
(4-amino-5-chloro-2-methoxyphenyl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119891715
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 46340969
[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 59632560

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone (CID 146302965) is [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone is CC(C)OCCN1CCN(C(=O)c2nn(-c3ccccc3Cl)c3c2CCc2sccc2-3)CC1.
What is the InChIKey of [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is PNGZRMRDDOUGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2S/c1-17(2)32-15-14-28-10-12-29(13-11-28)25(31)23-19-7-8-22-18(9-16-33-22)24(19)30(27-23)21-6-4-3-5-20(21)26/h3-6,9,16-17H,7-8,10-15H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone?
[1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 485.05 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146302965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).