2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C23H21N5O3 — CID 162664833

IUPAC2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4ccc5cnn(C)c5c4)nn23)cc(OC)c1OC
InChIInChI=1S/C23H21N5O3/c1-27-19-9-14(5-6-15(19)13-25-27)17-12-22-24-8-7-18(28(22)26-17)16-10-20(29-2)23(31-4)21(11-16)30-3/h5-13H,1-4H3
InChIKeyWHPONWIENQTTSQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.98
Rot. Bonds5

About 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162664833) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162664833
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4ccc5cnn(C)c5c4)nn23)cc(OC)c1OC
InChIInChI=1S/C23H21N5O3/c1-27-19-9-14(5-6-15(19)13-25-27)17-12-22-24-8-7-18(28(22)26-17)16-10-20(29-2)23(31-4)21(11-16)30-3/h5-13H,1-4H3
InChIKeyWHPONWIENQTTSQ-UHFFFAOYSA-N
XLogP3.98
TPSA75.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162664833) is 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2ccnc3cc(-c4ccc5cnn(C)c5c4)nn23)cc(OC)c1OC.
What is the InChIKey of 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WHPONWIENQTTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-27-19-9-14(5-6-15(19)13-25-27)17-12-22-24-8-7-18(28(22)26-17)16-10-20(29-2)23(31-4)21(11-16)30-3/h5-13H,1-4H3.
What are the key properties of 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 415.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-6-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162664833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).