N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide

C20H22ClN5O — CID 24988747

IUPACN-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)NCc4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C20H22ClN5O/c1-25-8-10-26(11-9-25)19-17-12-15(4-7-18(17)23-24-19)20(27)22-13-14-2-5-16(21)6-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,27)(H,23,24)
InChIKeyCFEPZQZOKGHZKE-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.90
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide (PubChem CID 24988747) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
PubChem CID24988747
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)NCc4ccc(Cl)cc4)cc23)CC1
InChIInChI=1S/C20H22ClN5O/c1-25-8-10-26(11-9-25)19-17-12-15(4-7-18(17)23-24-19)20(27)22-13-14-2-5-16(21)6-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,27)(H,23,24)
InChIKeyCFEPZQZOKGHZKE-UHFFFAOYSA-N
XLogP2.90
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide 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-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918
N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584558
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 14823442
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302036
lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
CID 69188513
N-benzyl-2-hydroxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indole-5-carboxamide;dihydrochloride
CID 135451047
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584445
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide (CID 24988747) is N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide is CN1CCN(c2n[nH]c3ccc(C(=O)NCc4ccc(Cl)cc4)cc23)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide?
The InChIKey is CFEPZQZOKGHZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-25-8-10-26(11-9-25)19-17-12-15(4-7-18(17)23-24-19)20(27)22-13-14-2-5-16(21)6-3-14/h2-7,12H,8-11,13H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 24988747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).