2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol

C22H22N4O2 — CID 59662371

IUPAC2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCOc1cc(-c2cnn3ccc(Nc4ccc(C(C)C)cc4)nc23)ccc1O
InChIInChI=1S/C22H22N4O2/c1-14(2)15-4-7-17(8-5-15)24-21-10-11-26-22(25-21)18(13-23-26)16-6-9-19(27)20(12-16)28-3/h4-14,27H,1-3H3,(H,24,25)
InChIKeyJDKQQMPKYAYCSW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.98
Rot. Bonds5

About 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol

2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 59662371) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID59662371
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESCOc1cc(-c2cnn3ccc(Nc4ccc(C(C)C)cc4)nc23)ccc1O
InChIInChI=1S/C22H22N4O2/c1-14(2)15-4-7-17(8-5-15)24-21-10-11-26-22(25-21)18(13-23-26)16-6-9-19(27)20(12-16)28-3/h4-14,27H,1-3H3,(H,24,25)
InChIKeyJDKQQMPKYAYCSW-UHFFFAOYSA-N
XLogP4.98
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 59662371) is 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol is COc1cc(-c2cnn3ccc(Nc4ccc(C(C)C)cc4)nc23)ccc1O.
What is the InChIKey of 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is JDKQQMPKYAYCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(2)15-4-7-17(8-5-15)24-21-10-11-26-22(25-21)18(13-23-26)16-6-9-19(27)20(12-16)28-3/h4-14,27H,1-3H3,(H,24,25).
What are the key properties of 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 374.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 59662371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).