2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride

About 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride

2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride (PubChem CID 127036535) has the molecular formula C30H32Cl2N6O2 and a molecular weight of 579.53 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name	2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride
PubChem CID	127036535
Molecular Formula	C30H32Cl2N6O2
Molecular Weight	579.53 g/mol
Exact Mass	578.20
IUPAC Name	2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride
SMILES	Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC1CCNCC1.Cl.Cl
InChI	InChI=1S/C30H30N6O2.2ClH/c1-18-27(33-19(2)28(18)30(38)34-22-10-12-31-13-11-22)15-25-24-14-20(8-9-26(24)35-29(25)37)21-16-32-36(17-21)23-6-4-3-5-7-23;;/h3-9,14-17,22,31,33H,10-13H2,1-2H3,(H,34,38)(H,35,37);2*1H/b25-15-;;
InChIKey	SUEWEYONNQYQLM-JWLSWTATSA-N
XLogP	5.30
TPSA	103.84 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.53
LogP ≤ 5	5.30
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 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride?

The IUPAC name of 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride (CID 127036535) is 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride.

What is the SMILES notation for 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride?

The canonical SMILES for 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)NC1CCNCC1.Cl.Cl.

What is the InChIKey of 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride?

The InChIKey is SUEWEYONNQYQLM-JWLSWTATSA-N. The full InChI is InChI=1S/C30H30N6O2.2ClH/c1-18-27(33-19(2)28(18)30(38)34-22-10-12-31-13-11-22)15-25-24-14-20(8-9-26(24)35-29(25)37)21-16-32-36(17-21)23-6-4-3-5-7-23;;/h3-9,14-17,22,31,33H,10-13H2,1-2H3,(H,34,38)(H,35,37);2*1H/b25-15-;;.

What are the key properties of 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride?

2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride has a molecular weight of 579.53 g/mol, XLogP of 5.30, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-5-[(Z)-[2-oxo-5-(1-phenylpyrazol-4-yl)-1H-indol-3-ylidene]methyl]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 127036535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).