7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C22H24ClN5O2 — CID 68531018

IUPAC7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2c(Cl)cnc(-c3cc4cc(CN5CCN(CCO)CC5)ccc4[nH]3)c21
InChIInChI=1S/C22H24ClN5O2/c23-17-12-24-21(20-16(17)11-25-22(20)30)19-10-15-9-14(1-2-18(15)26-19)13-28-5-3-27(4-6-28)7-8-29/h1-2,9-10,12,26,29H,3-8,11,13H2,(H,25,30)
InChIKeyKZPYJHOMMUNMSX-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.24
Rot. Bonds5

About 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 68531018) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID68531018
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2c(Cl)cnc(-c3cc4cc(CN5CCN(CCO)CC5)ccc4[nH]3)c21
InChIInChI=1S/C22H24ClN5O2/c23-17-12-24-21(20-16(17)11-25-22(20)30)19-10-15-9-14(1-2-18(15)26-19)13-28-5-3-27(4-6-28)7-8-29/h1-2,9-10,12,26,29H,3-8,11,13H2,(H,25,30)
InChIKeyKZPYJHOMMUNMSX-UHFFFAOYSA-N
XLogP2.24
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one 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

4-chloro-7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-5-methoxy-2,3-dihydroisoindol-1-one;dihydrochloride
CID 68533332
4-chloro-7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-5-propan-2-yloxy-2,3-dihydroisoindol-1-one
CID 68807898
7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-5-propoxy-2,3-dihydroisoindol-1-one
CID 68808859
7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-5-[methyl(propan-2-yl)amino]-2,3-dihydroisoindol-1-one
CID 68808865
5-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 140560628
5-[(dimethylamino)methyl]-4-hydroxy-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 68825189
4-[(E)-5-hydroxypent-3-en-1-ynyl]-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 87587072
4-(5-hydroxypent-3-en-1-ynyl)-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 173114284
[1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] chloromethanesulfonate
CID 87471219
bis[4-(furan-2-yl)-7-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-yl]methanone
CID 175253485
[1-oxo-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-4-yl] propane-2-sulfonate
CID 87470892
5-(1-hydroxypropan-2-ylamino)-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 68808786

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 68531018) is 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is O=C1NCc2c(Cl)cnc(-c3cc4cc(CN5CCN(CCO)CC5)ccc4[nH]3)c21.
What is the InChIKey of 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is KZPYJHOMMUNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-17-12-24-21(20-16(17)11-25-22(20)30)19-10-15-9-14(1-2-18(15)26-19)13-28-5-3-27(4-6-28)7-8-29/h1-2,9-10,12,26,29H,3-8,11,13H2,(H,25,30).
What are the key properties of 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 425.92 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 68531018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).