4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

C25H32ClN5O — CID 20877541

IUPAC4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCN1CCN(CCCNC(=O)CCCn2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C25H32ClN5O/c1-29-15-17-30(18-16-29)13-6-12-27-24(32)9-5-14-31-23-11-10-21(26)19-22(23)25(28-31)20-7-3-2-4-8-20/h2-4,7-8,10-11,19H,5-6,9,12-18H2,1H3,(H,27,32)
InChIKeyULLBQWCFBIFOKO-UHFFFAOYSA-N
MW454.02 g/mol
LogP3.89
Rot. Bonds9

About 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide (PubChem CID 20877541) has the molecular formula C25H32ClN5O and a molecular weight of 454.02 g/mol. Its IUPAC name is 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
PubChem CID20877541
Molecular FormulaC25H32ClN5O
Molecular Weight454.02 g/mol
Exact Mass453.23
IUPAC Name4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
SMILESCN1CCN(CCCNC(=O)CCCn2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C25H32ClN5O/c1-29-15-17-30(18-16-29)13-6-12-27-24(32)9-5-14-31-23-11-10-21(26)19-22(23)25(28-31)20-7-3-2-4-8-20/h2-4,7-8,10-11,19H,5-6,9,12-18H2,1H3,(H,27,32)
InChIKeyULLBQWCFBIFOKO-UHFFFAOYSA-N
XLogP3.89
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929
N-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252893
1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
CID 165416442
N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 71459130
N-(1-benzylpiperidin-4-yl)-1-isopropylindazole-3-carboxamide
CID 10499786
2-(4-(4-chlorophenethyl)-1-ethyl-3-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 25063628
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299573
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299645
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299858
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299902
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-fluoropropyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299956
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300064

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide (CID 20877541) is 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide is CN1CCN(CCCNC(=O)CCCn2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
The InChIKey is ULLBQWCFBIFOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O/c1-29-15-17-30(18-16-29)13-6-12-27-24(32)9-5-14-31-23-11-10-21(26)19-22(23)25(28-31)20-7-3-2-4-8-20/h2-4,7-8,10-11,19H,5-6,9,12-18H2,1H3,(H,27,32).
What are the key properties of 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide?
4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide has a molecular weight of 454.02 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-phenylindazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 20877541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).