N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C19H22FN5O — CID 11667549

IUPACN-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(CCO[C@@H]2C[C@@H](Nc3ncnc4[nH]ncc34)C[C@H]2F)cc1
InChIInChI=1S/C19H22FN5O/c1-12-2-4-13(5-3-12)6-7-26-17-9-14(8-16(17)20)24-18-15-10-23-25-19(15)22-11-21-18/h2-5,10-11,14,16-17H,6-9H2,1H3,(H2,21,22,23,24,25)/t14-,16+,17+/m0/s1
InChIKeyKWVLMDLAKFUHGK-USXIJHARSA-N
MW355.42 g/mol
LogP3.20
Rot. Bonds6

About N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11667549) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11667549
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(CCO[C@@H]2C[C@@H](Nc3ncnc4[nH]ncc34)C[C@H]2F)cc1
InChIInChI=1S/C19H22FN5O/c1-12-2-4-13(5-3-12)6-7-26-17-9-14(8-16(17)20)24-18-15-10-23-25-19(15)22-11-21-18/h2-5,10-11,14,16-17H,6-9H2,1H3,(H2,21,22,23,24,25)/t14-,16+,17+/m0/s1
InChIKeyKWVLMDLAKFUHGK-USXIJHARSA-N
XLogP3.20
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11667549) is N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(CCO[C@@H]2C[C@@H](Nc3ncnc4[nH]ncc34)C[C@H]2F)cc1.
What is the InChIKey of N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KWVLMDLAKFUHGK-USXIJHARSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12-2-4-13(5-3-12)6-7-26-17-9-14(8-16(17)20)24-18-15-10-23-25-19(15)22-11-21-18/h2-5,10-11,14,16-17H,6-9H2,1H3,(H2,21,22,23,24,25)/t14-,16+,17+/m0/s1.
What are the key properties of N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 355.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R,4R)-3-fluoro-4-[2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11667549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).