N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine

C18H11ClFN7 — CID 67410123

IUPACN-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine
SMILESFc1cc(Nc2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)ccc1Cl
InChIInChI=1S/C18H11ClFN7/c19-13-4-2-11(5-14(13)20)24-18-21-8-16-17(25-18)27(9-22-16)12-3-1-10-7-23-26-15(10)6-12/h1-9H,(H,23,26)(H,21,24,25)
InChIKeyMNJSJASNTCNTBX-UHFFFAOYSA-N
MW379.79 g/mol
LogP4.23
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine

N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine (PubChem CID 67410123) has the molecular formula C18H11ClFN7 and a molecular weight of 379.79 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine
PubChem CID67410123
Molecular FormulaC18H11ClFN7
Molecular Weight379.79 g/mol
Exact Mass379.07
IUPAC NameN-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine
SMILESFc1cc(Nc2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)ccc1Cl
InChIInChI=1S/C18H11ClFN7/c19-13-4-2-11(5-14(13)20)24-18-21-8-16-17(25-18)27(9-22-16)12-3-1-10-7-23-26-15(10)6-12/h1-9H,(H,23,26)(H,21,24,25)
InChIKeyMNJSJASNTCNTBX-UHFFFAOYSA-N
XLogP4.23
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine (CID 67410123) is N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine is Fc1cc(Nc2ncc3ncn(-c4ccc5cn[nH]c5c4)c3n2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine?
The InChIKey is MNJSJASNTCNTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN7/c19-13-4-2-11(5-14(13)20)24-18-21-8-16-17(25-18)27(9-22-16)12-3-1-10-7-23-26-15(10)6-12/h1-9H,(H,23,26)(H,21,24,25).
What are the key properties of N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine?
N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine has a molecular weight of 379.79 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-9-(1H-indazol-6-yl)purin-2-amine is sourced from PubChem (CID 67410123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).