N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine

C21H24N4O3 — CID 11531010

IUPACN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine
SMILESCOc1ccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1
InChIInChI=1S/C21H24N4O3/c1-26-16-3-4-18-17(11-16)21(24-23-18)22-15-6-8-25(9-7-15)12-14-2-5-19-20(10-14)28-13-27-19/h2-5,10-11,15H,6-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyDMPZBWPVTPYXNU-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine

N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine (PubChem CID 11531010) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine
PubChem CID11531010
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine
SMILESCOc1ccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1
InChIInChI=1S/C21H24N4O3/c1-26-16-3-4-18-17(11-16)21(24-23-18)22-15-6-8-25(9-7-15)12-14-2-5-19-20(10-14)28-13-27-19/h2-5,10-11,15H,6-9,12-13H2,1H3,(H2,22,23,24)
InChIKeyDMPZBWPVTPYXNU-UHFFFAOYSA-N
XLogP3.38
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine (CID 11531010) is N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine is COc1ccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine?
The InChIKey is DMPZBWPVTPYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-16-3-4-18-17(11-16)21(24-23-18)22-15-6-8-25(9-7-15)12-14-2-5-19-20(10-14)28-13-27-19/h2-5,10-11,15H,6-9,12-13H2,1H3,(H2,22,23,24).
What are the key properties of N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine?
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine has a molecular weight of 380.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1H-indazol-3-amine is sourced from PubChem (CID 11531010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).