N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C20H24N4O — CID 57446059

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCOc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C20H24N4O/c1-25-20-7-3-2-5-15(20)13-24-10-4-6-18(14-24)22-17-8-9-19-16(11-17)12-21-23-19/h2-3,5,7-9,11-12,18,22H,4,6,10,13-14H2,1H3,(H,21,23)
InChIKeyXGAOBHWQHSZCKT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.65
Rot. Bonds5

About N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 57446059) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID57446059
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCOc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C20H24N4O/c1-25-20-7-3-2-5-15(20)13-24-10-4-6-18(14-24)22-17-8-9-19-16(11-17)12-21-23-19/h2-3,5,7-9,11-12,18,22H,4,6,10,13-14H2,1H3,(H,21,23)
InChIKeyXGAOBHWQHSZCKT-UHFFFAOYSA-N
XLogP3.65
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10131663, Example 6
CID 134453461
Benzyl-[2-(1H-indazol-4-yloxy)-ethyl]-amine
CID 9816808
US10131663, Example 19
CID 134453506
US10131663, Example 21
CID 134453518
1-(3-fluoropropyl)-N-[3-methoxy-4-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]azetidin-3-amine
CID 134453528
N-[4-[(6S,8R)-7-(2-fluoro-2-methylpropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-methoxyphenyl]-1-(3-fluoropropyl)azetidin-3-amine
CID 134453565
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
N-(1-(3,5-dimethoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098475
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 70691934
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 57446059) is N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is COc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is XGAOBHWQHSZCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-25-20-7-3-2-5-15(20)13-24-10-4-6-18(14-24)22-17-8-9-19-16(11-17)12-21-23-19/h2-3,5,7-9,11-12,18,22H,4,6,10,13-14H2,1H3,(H,21,23).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 336.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 57446059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).