N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C21H26N4O2 — CID 21098475

IUPACN-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc(OC)c1
InChIInChI=1S/C21H26N4O2/c1-26-19-8-15(9-20(11-19)27-2)13-25-7-3-4-18(14-25)23-17-5-6-21-16(10-17)12-22-24-21/h5-6,8-12,18,23H,3-4,7,13-14H2,1-2H3,(H,22,24)
InChIKeyQRVGBTGBMIUBQJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.66
Rot. Bonds6

About N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 21098475) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID21098475
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc(OC)c1
InChIInChI=1S/C21H26N4O2/c1-26-19-8-15(9-20(11-19)27-2)13-25-7-3-4-18(14-25)23-17-5-6-21-16(10-17)12-22-24-21/h5-6,8-12,18,23H,3-4,7,13-14H2,1-2H3,(H,22,24)
InChIKeyQRVGBTGBMIUBQJ-UHFFFAOYSA-N
XLogP3.66
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 21098475) is N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is COc1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc(OC)c1.
What is the InChIKey of N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is QRVGBTGBMIUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-26-19-8-15(9-20(11-19)27-2)13-25-7-3-4-18(14-25)23-17-5-6-21-16(10-17)12-22-24-21/h5-6,8-12,18,23H,3-4,7,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 366.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 21098475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).