(3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol

C19H22N6O — CID 122192139

IUPAC(3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1nn(-c2ccnc(Nc3ccccc3)n2)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C19H22N6O/c1-14-15(11-24-10-8-17(26)13-24)12-25(23-14)18-7-9-20-19(22-18)21-16-5-3-2-4-6-16/h2-7,9,12,17,26H,8,10-11,13H2,1H3,(H,20,21,22)/t17-/m1/s1
InChIKeyLOGRBAPLNORWPM-QGZVFWFLSA-N
MW350.43 g/mol
LogP2.28
Rot. Bonds5

About (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 122192139) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID122192139
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1nn(-c2ccnc(Nc3ccccc3)n2)cc1CN1CC[C@@H](O)C1
InChIInChI=1S/C19H22N6O/c1-14-15(11-24-10-8-17(26)13-24)12-25(23-14)18-7-9-20-19(22-18)21-16-5-3-2-4-6-16/h2-7,9,12,17,26H,8,10-11,13H2,1H3,(H,20,21,22)/t17-/m1/s1
InChIKeyLOGRBAPLNORWPM-QGZVFWFLSA-N
XLogP2.28
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 122192139) is (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol is Cc1nn(-c2ccnc(Nc3ccccc3)n2)cc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is LOGRBAPLNORWPM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-15(11-24-10-8-17(26)13-24)12-25(23-14)18-7-9-20-19(22-18)21-16-5-3-2-4-6-16/h2-7,9,12,17,26H,8,10-11,13H2,1H3,(H,20,21,22)/t17-/m1/s1.
What are the key properties of (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 350.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(2-anilinopyrimidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 122192139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).