N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine

C20H18N8 — CID 149381057

IUPACN-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
SMILESCc1ccc2c(c1)c([C@H](C)Nc1ncnc3nc[nH]c13)nn2-c1cccnc1
InChIInChI=1S/C20H18N8/c1-12-5-6-16-15(8-12)17(27-28(16)14-4-3-7-21-9-14)13(2)26-20-18-19(23-10-22-18)24-11-25-20/h3-11,13H,1-2H3,(H2,22,23,24,25,26)/t13-/m0/s1
InChIKeyYLQPXBYZULBEHV-ZDUSSCGKSA-N
MW370.42 g/mol
LogP3.57
Rot. Bonds4

About N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine

N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 149381057) has the molecular formula C20H18N8 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
PubChem CID149381057
Molecular FormulaC20H18N8
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
SMILESCc1ccc2c(c1)c([C@H](C)Nc1ncnc3nc[nH]c13)nn2-c1cccnc1
InChIInChI=1S/C20H18N8/c1-12-5-6-16-15(8-12)17(27-28(16)14-4-3-7-21-9-14)13(2)26-20-18-19(23-10-22-18)24-11-25-20/h3-11,13H,1-2H3,(H2,22,23,24,25,26)/t13-/m0/s1
InChIKeyYLQPXBYZULBEHV-ZDUSSCGKSA-N
XLogP3.57
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine (CID 149381057) is N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine is Cc1ccc2c(c1)c([C@H](C)Nc1ncnc3nc[nH]c13)nn2-c1cccnc1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is YLQPXBYZULBEHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N8/c1-12-5-6-16-15(8-12)17(27-28(16)14-4-3-7-21-9-14)13(2)26-20-18-19(23-10-22-18)24-11-25-20/h3-11,13H,1-2H3,(H2,22,23,24,25,26)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 370.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 149381057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).