9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine

C19H18FN7 — CID 69150294

IUPAC9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine
SMILESC[C@@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN7/c1-11(12-4-6-14(20)7-5-12)23-19-21-9-16-18(24-19)27(10-22-16)17-8-15(25-26-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,25,26)(H,21,23,24)/t11-/m1/s1
InChIKeyTWJLVWOPPUITIB-LLVKDONJSA-N
MW363.40 g/mol
LogP3.73
Rot. Bonds5

About 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine

9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine (PubChem CID 69150294) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine.

Molecular Properties

Compound Name9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine
PubChem CID69150294
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine
SMILESC[C@@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN7/c1-11(12-4-6-14(20)7-5-12)23-19-21-9-16-18(24-19)27(10-22-16)17-8-15(25-26-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,25,26)(H,21,23,24)/t11-/m1/s1
InChIKeyTWJLVWOPPUITIB-LLVKDONJSA-N
XLogP3.73
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine?
The IUPAC name of 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine (CID 69150294) is 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine.
What is the SMILES notation for 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine?
The canonical SMILES for 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine is C[C@@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cc1.
What is the InChIKey of 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine?
The InChIKey is TWJLVWOPPUITIB-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18FN7/c1-11(12-4-6-14(20)7-5-12)23-19-21-9-16-18(24-19)27(10-22-16)17-8-15(25-26-17)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,25,26)(H,21,23,24)/t11-/m1/s1.
What are the key properties of 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine?
9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine has a molecular weight of 363.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine is sourced from PubChem (CID 69150294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).