N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine

C19H16N8 — CID 155223175

IUPACN-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2ccccc12
InChIInChI=1S/C19H16N8/c1-12(25-19-17-18(22-10-21-17)23-11-24-19)16-14-6-2-3-7-15(14)27(26-16)13-5-4-8-20-9-13/h2-12H,1H3,(H2,21,22,23,24,25)
InChIKeyKUZZZPGMVSZGPG-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine

N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 155223175) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
PubChem CID155223175
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC NameN-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2ccccc12
InChIInChI=1S/C19H16N8/c1-12(25-19-17-18(22-10-21-17)23-11-24-19)16-14-6-2-3-7-15(14)27(26-16)13-5-4-8-20-9-13/h2-12H,1H3,(H2,21,22,23,24,25)
InChIKeyKUZZZPGMVSZGPG-UHFFFAOYSA-N
XLogP3.26
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine (CID 155223175) is N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2ccccc12.
What is the InChIKey of N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is KUZZZPGMVSZGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-12(25-19-17-18(22-10-21-17)23-11-24-19)16-14-6-2-3-7-15(14)27(26-16)13-5-4-8-20-9-13/h2-12H,1H3,(H2,21,22,23,24,25).
What are the key properties of N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 356.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 155223175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).