7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole

C16H23N5 — CID 120968620

IUPAC7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole
SMILESc1cc(CN2CCC(N3CCNCC3)C2)c2[nH]ncc2c1
InChIInChI=1S/C16H23N5/c1-2-13-10-18-19-16(13)14(3-1)11-20-7-4-15(12-20)21-8-5-17-6-9-21/h1-3,10,15,17H,4-9,11-12H2,(H,18,19)
InChIKeyKQNZEVKITGOYRG-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.04
Rot. Bonds3

About 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole

7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole (PubChem CID 120968620) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole.

Molecular Properties

Compound Name7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole
PubChem CID120968620
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole
SMILESc1cc(CN2CCC(N3CCNCC3)C2)c2[nH]ncc2c1
InChIInChI=1S/C16H23N5/c1-2-13-10-18-19-16(13)14(3-1)11-20-7-4-15(12-20)21-8-5-17-6-9-21/h1-3,10,15,17H,4-9,11-12H2,(H,18,19)
InChIKeyKQNZEVKITGOYRG-UHFFFAOYSA-N
XLogP1.04
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
CID 120967910
1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488606
2-[1-(1H-indazol-7-ylmethyl)piperidin-4-yl]-2-methylpropanoic acid
CID 167919240
3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride
CID 120968349
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
[(3S)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 97332173
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
1-[1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968337
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
1-[1-[(1-benzylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967671
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485

Frequently Asked Questions

What is the IUPAC name of 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole?
The IUPAC name of 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole (CID 120968620) is 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole.
What is the SMILES notation for 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole?
The canonical SMILES for 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole is c1cc(CN2CCC(N3CCNCC3)C2)c2[nH]ncc2c1.
What is the InChIKey of 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole?
The InChIKey is KQNZEVKITGOYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-13-10-18-19-16(13)14(3-1)11-20-7-4-15(12-20)21-8-5-17-6-9-21/h1-3,10,15,17H,4-9,11-12H2,(H,18,19).
What are the key properties of 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole?
7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole has a molecular weight of 285.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole is sourced from PubChem (CID 120968620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).