6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride

C21H23Cl2N5O — CID 139642014

IUPAC6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Cc2cc(CCN3CCN(C4N=Nc5ccccc54)CC3)c(Cl)cc2N1
InChIInChI=1S/C21H22ClN5O.ClH/c22-17-13-19-15(12-20(28)23-19)11-14(17)5-6-26-7-9-27(10-8-26)21-16-3-1-2-4-18(16)24-25-21;/h1-4,11,13,21H,5-10,12H2,(H,23,28);1H
InChIKeyRQCFCQUXOZIDHC-UHFFFAOYSA-N
MW432.36 g/mol
LogP4.21
Rot. Bonds4

About 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride

6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 139642014) has the molecular formula C21H23Cl2N5O and a molecular weight of 432.36 g/mol. Its IUPAC name is 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride
PubChem CID139642014
Molecular FormulaC21H23Cl2N5O
Molecular Weight432.36 g/mol
Exact Mass431.13
IUPAC Name6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Cc2cc(CCN3CCN(C4N=Nc5ccccc54)CC3)c(Cl)cc2N1
InChIInChI=1S/C21H22ClN5O.ClH/c22-17-13-19-15(12-20(28)23-19)11-14(17)5-6-26-7-9-27(10-8-26)21-16-3-1-2-4-18(16)24-25-21;/h1-4,11,13,21H,5-10,12H2,(H,23,28);1H
InChIKeyRQCFCQUXOZIDHC-UHFFFAOYSA-N
XLogP4.21
TPSA60.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[4-(1,2-benzothiazol-3-ylmethyl)azepan-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 163426988
6-chloro-5-[2-[4-(2-sulfanylbenzenecarboximidoyl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 135515534
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one;3-piperazin-1-yl-1,2-benzothiazole
CID 11366451
5-[2-[4-(3a,7a-dihydro-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 59459708
6-chloro-5-[2-[4-[2-(trideuterio(113C)methylsulfanyl)benzenecarboximidoyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 169443573
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;1,2-benzoxazol-3-ylmethanesulfonamide
CID 11962118
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-hydroxy-1,3-dihydroindol-2-one
CID 142020342
5-[2-[1-(1,2-benzothiazol-3-yl)piperazin-2-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride
CID 142685251
5-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 14819328
5-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 66395714
6-chloro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 60540045
3-[(7R,9aS)-7-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,2-benzoxazole;5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 11480007

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride (CID 139642014) is 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride is Cl.O=C1Cc2cc(CCN3CCN(C4N=Nc5ccccc54)CC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is RQCFCQUXOZIDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O.ClH/c22-17-13-19-15(12-20(28)23-19)11-14(17)5-6-26-7-9-27(10-8-26)21-16-3-1-2-4-18(16)24-25-21;/h1-4,11,13,21H,5-10,12H2,(H,23,28);1H.
What are the key properties of 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride?
6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 432.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-[4-(3H-indazol-3-yl)piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 139642014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).