1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol

C22H24N6O3 — CID 162671886

IUPAC1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol
SMILESCn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCC(C)(C)O)cn1
InChIInChI=1S/C22H24N6O3/c1-22(2,29)13-30-18-12-28-21(26-20(18)15-9-24-27(3)11-15)17(10-25-28)14-6-7-23-19(8-14)31-16-4-5-16/h6-12,16,29H,4-5,13H2,1-3H3
InChIKeyLDHKDJPQTITGJF-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.88
Rot. Bonds7

About 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol

1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol (PubChem CID 162671886) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol
PubChem CID162671886
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol
SMILESCn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCC(C)(C)O)cn1
InChIInChI=1S/C22H24N6O3/c1-22(2,29)13-30-18-12-28-21(26-20(18)15-9-24-27(3)11-15)17(10-25-28)14-6-7-23-19(8-14)31-16-4-5-16/h6-12,16,29H,4-5,13H2,1-3H3
InChIKeyLDHKDJPQTITGJF-UHFFFAOYSA-N
XLogP2.88
TPSA99.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol (CID 162671886) is 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol is Cn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCC(C)(C)O)cn1.
What is the InChIKey of 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol?
The InChIKey is LDHKDJPQTITGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-22(2,29)13-30-18-12-28-21(26-20(18)15-9-24-27(3)11-15)17(10-25-28)14-6-7-23-19(8-14)31-16-4-5-16/h6-12,16,29H,4-5,13H2,1-3H3.
What are the key properties of 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol?
1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol has a molecular weight of 420.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 162671886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).