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

C21H23N5 — CID 44595812

IUPACN-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
SMILESc1cc2cc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)ccc2[nH]1
InChIInChI=1S/C21H23N5/c1-2-19(24-18-4-6-21-17(11-18)12-23-25-21)14-26(9-1)13-15-3-5-20-16(10-15)7-8-22-20/h3-8,10-12,19,22,24H,1-2,9,13-14H2,(H,23,25)
InChIKeyPBHMZFQBWANQMI-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.12
Rot. Bonds4

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

N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 44595812) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
PubChem CID44595812
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
SMILESc1cc2cc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)ccc2[nH]1
InChIInChI=1S/C21H23N5/c1-2-19(24-18-4-6-21-17(11-18)12-23-25-21)14-26(9-1)13-15-3-5-20-16(10-15)7-8-22-20/h3-8,10-12,19,22,24H,1-2,9,13-14H2,(H,23,25)
InChIKeyPBHMZFQBWANQMI-UHFFFAOYSA-N
XLogP4.12
TPSA59.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine (CID 44595812) is N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine is c1cc2cc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)ccc2[nH]1.
What is the InChIKey of N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is PBHMZFQBWANQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-2-19(24-18-4-6-21-17(11-18)12-23-25-21)14-26(9-1)13-15-3-5-20-16(10-15)7-8-22-20/h3-8,10-12,19,22,24H,1-2,9,13-14H2,(H,23,25).
What are the key properties of N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine?
N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 345.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 44595812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).