N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine

C21H24N4O2 — CID 44595810

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
SMILESc1cc2c(cc1CN1CCCC(Nc3ccc4[nH]ncc4c3)C1)OCCO2
InChIInChI=1S/C21H24N4O2/c1-2-18(23-17-4-5-19-16(11-17)12-22-24-19)14-25(7-1)13-15-3-6-20-21(10-15)27-9-8-26-20/h3-6,10-12,18,23H,1-2,7-9,13-14H2,(H,22,24)
InChIKeySFATVUFGJJLYSY-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.41
Rot. Bonds4

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 44595810) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
PubChem CID44595810
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
SMILESc1cc2c(cc1CN1CCCC(Nc3ccc4[nH]ncc4c3)C1)OCCO2
InChIInChI=1S/C21H24N4O2/c1-2-18(23-17-4-5-19-16(11-17)12-22-24-19)14-25(7-1)13-15-3-6-20-21(10-15)27-9-8-26-20/h3-6,10-12,18,23H,1-2,7-9,13-14H2,(H,22,24)
InChIKeySFATVUFGJJLYSY-UHFFFAOYSA-N
XLogP3.41
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine with MolForge

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Related Compounds

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
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
N-(1-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)piperidin-4-yl)-5-nitro-1H-indazol-3-amine
CID 44405486
1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 72145002
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009894
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethanol
CID 25009895
2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 25010076
2-[3-[[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 25010079
3-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]propan-1-ol
CID 25010080
2-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010081
2-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25010253

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine (CID 44595810) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine is c1cc2c(cc1CN1CCCC(Nc3ccc4[nH]ncc4c3)C1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is SFATVUFGJJLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-18(23-17-4-5-19-16(11-17)12-22-24-19)14-25(7-1)13-15-3-6-20-21(10-15)27-9-8-26-20/h3-6,10-12,18,23H,1-2,7-9,13-14H2,(H,22,24).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 364.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 44595810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).