N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C20H21N7O2 — CID 11646816

IUPACN-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Cc2noc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1
InChIInChI=1S/C20H21N7O2/c1-28-15-6-2-12(3-7-15)8-17-25-20(29-27-17)13-4-5-14(9-13)24-18-16-10-23-26-19(16)22-11-21-18/h2-3,6-7,10-11,13-14H,4-5,8-9H2,1H3,(H2,21,22,23,24,26)/t13-,14-/m0/s1
InChIKeyHFSSSGYILIZQDN-KBPBESRZSA-N
MW391.44 g/mol
LogP3.08
Rot. Bonds6

About N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11646816) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11646816
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC NameN-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(Cc2noc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1
InChIInChI=1S/C20H21N7O2/c1-28-15-6-2-12(3-7-15)8-17-25-20(29-27-17)13-4-5-14(9-13)24-18-16-10-23-26-19(16)22-11-21-18/h2-3,6-7,10-11,13-14H,4-5,8-9H2,1H3,(H2,21,22,23,24,26)/t13-,14-/m0/s1
InChIKeyHFSSSGYILIZQDN-KBPBESRZSA-N
XLogP3.08
TPSA114.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11646816) is N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1ccc(Cc2noc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1.
What is the InChIKey of N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HFSSSGYILIZQDN-KBPBESRZSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-28-15-6-2-12(3-7-15)8-17-25-20(29-27-17)13-4-5-14(9-13)24-18-16-10-23-26-19(16)22-11-21-18/h2-3,6-7,10-11,13-14H,4-5,8-9H2,1H3,(H2,21,22,23,24,26)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 391.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11646816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).