2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol

C19H20N6O — CID 58425533

IUPAC2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol
SMILESCCc1cc(C2=CCc3ncc(-c4cnn(CCO)c4)cc32)nc(N)n1
InChIInChI=1S/C19H20N6O/c1-2-14-8-18(24-19(20)23-14)15-3-4-17-16(15)7-12(9-21-17)13-10-22-25(11-13)5-6-26/h3,7-11,26H,2,4-6H2,1H3,(H2,20,23,24)
InChIKeyVQXKSOQIPAPENC-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.86
Rot. Bonds5

About 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol

2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 58425533) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol
PubChem CID58425533
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol
SMILESCCc1cc(C2=CCc3ncc(-c4cnn(CCO)c4)cc32)nc(N)n1
InChIInChI=1S/C19H20N6O/c1-2-14-8-18(24-19(20)23-14)15-3-4-17-16(15)7-12(9-21-17)13-10-22-25(11-13)5-6-26/h3,7-11,26H,2,4-6H2,1H3,(H2,20,23,24)
InChIKeyVQXKSOQIPAPENC-UHFFFAOYSA-N
XLogP1.86
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol (CID 58425533) is 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol is CCc1cc(C2=CCc3ncc(-c4cnn(CCO)c4)cc32)nc(N)n1.
What is the InChIKey of 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is VQXKSOQIPAPENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-2-14-8-18(24-19(20)23-14)15-3-4-17-16(15)7-12(9-21-17)13-10-22-25(11-13)5-6-26/h3,7-11,26H,2,4-6H2,1H3,(H2,20,23,24).
What are the key properties of 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 348.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-amino-6-ethylpyrimidin-4-yl)-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 58425533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).