N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C19H21ClFN5O — CID 11661077

IUPACN-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cccc(Cl)c1CCOC1CCC(Nc2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C19H21ClFN5O/c20-16-2-1-3-17(21)14(16)8-9-27-13-6-4-12(5-7-13)25-18-15-10-24-26-19(15)23-11-22-18/h1-3,10-13H,4-9H2,(H2,22,23,24,25,26)
InChIKeyWVIRLOMYVZVXEQ-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.13
Rot. Bonds6

About N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11661077) has the molecular formula C19H21ClFN5O and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11661077
Molecular FormulaC19H21ClFN5O
Molecular Weight389.86 g/mol
Exact Mass389.14
IUPAC NameN-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cccc(Cl)c1CCOC1CCC(Nc2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C19H21ClFN5O/c20-16-2-1-3-17(21)14(16)8-9-27-13-6-4-12(5-7-13)25-18-15-10-24-26-19(15)23-11-22-18/h1-3,10-13H,4-9H2,(H2,22,23,24,25,26)
InChIKeyWVIRLOMYVZVXEQ-UHFFFAOYSA-N
XLogP4.13
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11661077) is N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1cccc(Cl)c1CCOC1CCC(Nc2ncnc3[nH]ncc23)CC1.
What is the InChIKey of N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WVIRLOMYVZVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O/c20-16-2-1-3-17(21)14(16)8-9-27-13-6-4-12(5-7-13)25-18-15-10-24-26-19(15)23-11-22-18/h1-3,10-13H,4-9H2,(H2,22,23,24,25,26).
What are the key properties of N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 389.86 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chloro-6-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11661077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).