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

C23H26N6O3 — CID 162652517

IUPAC4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol
SMILESCn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCCC(C)(C)O)cn1
InChIInChI=1S/C23H26N6O3/c1-23(2,30)7-9-31-19-14-29-22(27-21(19)16-11-25-28(3)13-16)18(12-26-29)15-6-8-24-20(10-15)32-17-4-5-17/h6,8,10-14,17,30H,4-5,7,9H2,1-3H3
InChIKeyKPXQGLYUMYUHHN-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.27
Rot. Bonds8

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

4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol (PubChem CID 162652517) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol
PubChem CID162652517
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol
SMILESCn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCCC(C)(C)O)cn1
InChIInChI=1S/C23H26N6O3/c1-23(2,30)7-9-31-19-14-29-22(27-21(19)16-11-25-28(3)13-16)18(12-26-29)15-6-8-24-20(10-15)32-17-4-5-17/h6,8,10-14,17,30H,4-5,7,9H2,1-3H3
InChIKeyKPXQGLYUMYUHHN-UHFFFAOYSA-N
XLogP3.27
TPSA99.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol?
The IUPAC name of 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol (CID 162652517) is 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol is Cn1cc(-c2nc3c(-c4ccnc(OC5CC5)c4)cnn3cc2OCCC(C)(C)O)cn1.
What is the InChIKey of 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol?
The InChIKey is KPXQGLYUMYUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-23(2,30)7-9-31-19-14-29-22(27-21(19)16-11-25-28(3)13-16)18(12-26-29)15-6-8-24-20(10-15)32-17-4-5-17/h6,8,10-14,17,30H,4-5,7,9H2,1-3H3.
What are the key properties of 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol?
4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol has a molecular weight of 434.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol is sourced from PubChem (CID 162652517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).