N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide

C16H22ClN5O — CID 162635235

IUPACN-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2nn(C)c3cccc(Cl)c23)CC1
InChIInChI=1S/C16H22ClN5O/c1-20-8-10-22(11-9-20)7-6-14(23)18-16-15-12(17)4-3-5-13(15)21(2)19-16/h3-5H,6-11H2,1-2H3,(H,18,19,23)
InChIKeyNXGXFDXPIVCJJQ-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.80
Rot. Bonds4

About N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide

N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 162635235) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID162635235
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2nn(C)c3cccc(Cl)c23)CC1
InChIInChI=1S/C16H22ClN5O/c1-20-8-10-22(11-9-20)7-6-14(23)18-16-15-12(17)4-3-5-13(15)21(2)19-16/h3-5H,6-11H2,1-2H3,(H,18,19,23)
InChIKeyNXGXFDXPIVCJJQ-UHFFFAOYSA-N
XLogP1.80
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide
CID 123892807
N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 110864352
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-(4-methylpiperazin-1-yl)-N-[2-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]propanamide
CID 10697396
[(3R,4R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72872412
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N'-(4-chloro-1-methylindazol-3-yl)ethane-1,2-diamine
CID 84689488
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide
CID 109018090
2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
CID 2742954
N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 30138028

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide (CID 162635235) is N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2nn(C)c3cccc(Cl)c23)CC1.
What is the InChIKey of N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is NXGXFDXPIVCJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-20-8-10-22(11-9-20)7-6-14(23)18-16-15-12(17)4-3-5-13(15)21(2)19-16/h3-5H,6-11H2,1-2H3,(H,18,19,23).
What are the key properties of N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 335.84 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 162635235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).