7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide

About 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide

7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 74372966) has the molecular formula C26H32ClN5O3 and a molecular weight of 498.03 g/mol. Its IUPAC name is 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name	7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID	74372966
Molecular Formula	C26H32ClN5O3
Molecular Weight	498.03 g/mol
Exact Mass	497.22
IUPAC Name	7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide
SMILES	Cc1[nH]c2c(c1C(=O)NCC(O)CN1CCN(C)CC1)CCCC2=C1C(=O)Nc2ccc(Cl)cc21
InChI	InChI=1S/C26H32ClN5O3/c1-15-22(25(34)28-13-17(33)14-32-10-8-31(2)9-11-32)18-4-3-5-19(24(18)29-15)23-20-12-16(27)6-7-21(20)30-26(23)35/h6-7,12,17,29,33H,3-5,8-11,13-14H2,1-2H3,(H,28,34)(H,30,35)
InChIKey	CRTWLIQKGTWQBE-UHFFFAOYSA-N
XLogP	2.51
TPSA	100.70 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.03
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?

The IUPAC name of 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide (CID 74372966) is 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide.

What is the SMILES notation for 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?

The canonical SMILES for 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCC(O)CN1CCN(C)CC1)CCCC2=C1C(=O)Nc2ccc(Cl)cc21.

What is the InChIKey of 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?

The InChIKey is CRTWLIQKGTWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O3/c1-15-22(25(34)28-13-17(33)14-32-10-8-31(2)9-11-32)18-4-3-5-19(24(18)29-15)23-20-12-16(27)6-7-21(20)30-26(23)35/h6-7,12,17,29,33H,3-5,8-11,13-14H2,1-2H3,(H,28,34)(H,30,35).

What are the key properties of 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide?

7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 498.03 g/mol, XLogP of 2.51, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-chloro-2-oxo-1H-indol-3-ylidene)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 74372966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).