N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine

C21H22N4S — CID 44595811

IUPACN-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
SMILESc1cc2cc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)ccc2s1
InChIInChI=1S/C21H22N4S/c1-2-19(23-18-4-5-20-17(11-18)12-22-24-20)14-25(8-1)13-15-3-6-21-16(10-15)7-9-26-21/h3-7,9-12,19,23H,1-2,8,13-14H2,(H,22,24)
InChIKeyHHDLBGHLDFIDKP-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.85
Rot. Bonds4

About N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine

N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 44595811) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
PubChem CID44595811
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC NameN-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
SMILESc1cc2cc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)ccc2s1
InChIInChI=1S/C21H22N4S/c1-2-19(23-18-4-5-20-17(11-18)12-22-24-20)14-25(8-1)13-15-3-6-21-16(10-15)7-9-26-21/h3-7,9-12,19,23H,1-2,8,13-14H2,(H,22,24)
InChIKeyHHDLBGHLDFIDKP-UHFFFAOYSA-N
XLogP4.85
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine (CID 44595811) is N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine is c1cc2cc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)ccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is HHDLBGHLDFIDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-2-19(23-18-4-5-20-17(11-18)12-22-24-20)14-25(8-1)13-15-3-6-21-16(10-15)7-9-26-21/h3-7,9-12,19,23H,1-2,8,13-14H2,(H,22,24).
What are the key properties of N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 362.50 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 44595811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).