[(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C17H18N6O — CID 118741310

IUPAC[(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nccc(-c2cn[nH]c2-c2ccncc2)n1
InChIInChI=1S/C17H18N6O/c24-11-13-2-1-9-23(13)17-19-8-5-15(21-17)14-10-20-22-16(14)12-3-6-18-7-4-12/h3-8,10,13,24H,1-2,9,11H2,(H,20,22)/t13-/m0/s1
InChIKeyOEBYHEGIXXRNRS-ZDUSSCGKSA-N
MW322.37 g/mol
LogP1.89
Rot. Bonds4

About [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 118741310) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID118741310
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name[(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nccc(-c2cn[nH]c2-c2ccncc2)n1
InChIInChI=1S/C17H18N6O/c24-11-13-2-1-9-23(13)17-19-8-5-15(21-17)14-10-20-22-16(14)12-3-6-18-7-4-12/h3-8,10,13,24H,1-2,9,11H2,(H,20,22)/t13-/m0/s1
InChIKeyOEBYHEGIXXRNRS-ZDUSSCGKSA-N
XLogP1.89
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 118741310) is [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nccc(-c2cn[nH]c2-c2ccncc2)n1.
What is the InChIKey of [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is OEBYHEGIXXRNRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N6O/c24-11-13-2-1-9-23(13)17-19-8-5-15(21-17)14-10-20-22-16(14)12-3-6-18-7-4-12/h3-8,10,13,24H,1-2,9,11H2,(H,20,22)/t13-/m0/s1.
What are the key properties of [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 322.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 118741310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).