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

C19H16N8 — CID 155223218

IUPACN-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](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)/t12-/m0/s1
InChIKeyKUZZZPGMVSZGPG-LBPRGKRZSA-N
MW356.39 g/mol
LogP3.26
Rot. Bonds4

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

N-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 155223218) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
PubChem CID155223218
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC NameN-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](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)/t12-/m0/s1
InChIKeyKUZZZPGMVSZGPG-LBPRGKRZSA-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-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine (CID 155223218) is N-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine is C[C@H](Nc1ncnc2nc[nH]c12)c1nn(-c2cccnc2)c2ccccc12.
What is the InChIKey of N-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is KUZZZPGMVSZGPG-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-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-[(1S)-1-(1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 155223218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).