1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol

C16H20N6O2 — CID 71230198

IUPAC1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol
SMILESCC(O)[C@@H]1C[C@H](C)[C@H](n2cc(-c3ccn[nH]3)c3c(N)ncnc32)O1
InChIInChI=1S/C16H20N6O2/c1-8-5-12(9(2)23)24-16(8)22-6-10(11-3-4-20-21-11)13-14(17)18-7-19-15(13)22/h3-4,6-9,12,16,23H,5H2,1-2H3,(H,20,21)(H2,17,18,19)/t8-,9?,12-,16+/m0/s1
InChIKeyMCNXBGXQWCDNSH-UCGCMLNESA-N
MW328.38 g/mol
LogP1.71
Rot. Bonds3

About 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol

1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol (PubChem CID 71230198) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol
PubChem CID71230198
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol
SMILESCC(O)[C@@H]1C[C@H](C)[C@H](n2cc(-c3ccn[nH]3)c3c(N)ncnc32)O1
InChIInChI=1S/C16H20N6O2/c1-8-5-12(9(2)23)24-16(8)22-6-10(11-3-4-20-21-11)13-14(17)18-7-19-15(13)22/h3-4,6-9,12,16,23H,5H2,1-2H3,(H,20,21)(H2,17,18,19)/t8-,9?,12-,16+/m0/s1
InChIKeyMCNXBGXQWCDNSH-UCGCMLNESA-N
XLogP1.71
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol with MolForge

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Related Compounds

7-ethyl-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 123767193
4-amino-7-[(2R,3S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 142834340
[[5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 75166418
(Z)-3-[4-amino-7-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]but-2-enal
CID 143012505
(2R,3R,5S)-2-[4-amino-5-(4-ethylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 138579691
(3R,5S)-2-(4-amino-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 138565768
7-[1-[2-(2-fluorophenyl)-1H-imidazol-5-yl]ethyl]-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 134530180
2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 75292930
2-[4-amino-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 90960468
7-[(2R,4R,5R)-5-ethyl-4-methyloxolan-2-yl]-5-octa-1,7-diynylpyrrolo[2,3-d]pyrimidin-4-amine
CID 118490884
(2R,3R,4S,5R)-2-(4-amino-5-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155561498
4-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrido[2,3-d]pyrimidin-5-one
CID 10494993

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol?
The IUPAC name of 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol (CID 71230198) is 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol.
What is the SMILES notation for 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol?
The canonical SMILES for 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol is CC(O)[C@@H]1C[C@H](C)[C@H](n2cc(-c3ccn[nH]3)c3c(N)ncnc32)O1.
What is the InChIKey of 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol?
The InChIKey is MCNXBGXQWCDNSH-UCGCMLNESA-N. The full InChI is InChI=1S/C16H20N6O2/c1-8-5-12(9(2)23)24-16(8)22-6-10(11-3-4-20-21-11)13-14(17)18-7-19-15(13)22/h3-4,6-9,12,16,23H,5H2,1-2H3,(H,20,21)(H2,17,18,19)/t8-,9?,12-,16+/m0/s1.
What are the key properties of 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol?
1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol has a molecular weight of 328.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S,5R)-5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol is sourced from PubChem (CID 71230198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).