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

C19H23N5O — CID 11667219

IUPACN-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c1
InChIInChI=1S/C19H23N5O/c1-13-3-2-4-14(9-13)7-8-25-16-6-5-15(10-16)23-18-17-11-22-24-19(17)21-12-20-18/h2-4,9,11-12,15-16H,5-8,10H2,1H3,(H2,20,21,22,23,24)/t15-,16-/m0/s1
InChIKeyZIUJIBWBZRYCMB-HOTGVXAUSA-N
MW337.43 g/mol
LogP3.25
Rot. Bonds6

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

N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11667219) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11667219
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c1
InChIInChI=1S/C19H23N5O/c1-13-3-2-4-14(9-13)7-8-25-16-6-5-15(10-16)23-18-17-11-22-24-19(17)21-12-20-18/h2-4,9,11-12,15-16H,5-8,10H2,1H3,(H2,20,21,22,23,24)/t15-,16-/m0/s1
InChIKeyZIUJIBWBZRYCMB-HOTGVXAUSA-N
XLogP3.25
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11667219) is N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1cccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c1.
What is the InChIKey of N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZIUJIBWBZRYCMB-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-3-2-4-14(9-13)7-8-25-16-6-5-15(10-16)23-18-17-11-22-24-19(17)21-12-20-18/h2-4,9,11-12,15-16H,5-8,10H2,1H3,(H2,20,21,22,23,24)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11667219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).