2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C25H33N5O2 — CID 1441877

IUPAC2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCCCN1CCN(c2c3c(nc4cc(-c5cc(OC)cc(OC)c5)nn24)CCCC3)CC1
InChIInChI=1S/C25H33N5O2/c1-4-9-28-10-12-29(13-11-28)25-21-7-5-6-8-22(21)26-24-17-23(27-30(24)25)18-14-19(31-2)16-20(15-18)32-3/h14-17H,4-13H2,1-3H3
InChIKeyZMIDAICZJWUOGA-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.82
Rot. Bonds6

About 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 1441877) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID1441877
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCCCN1CCN(c2c3c(nc4cc(-c5cc(OC)cc(OC)c5)nn24)CCCC3)CC1
InChIInChI=1S/C25H33N5O2/c1-4-9-28-10-12-29(13-11-28)25-21-7-5-6-8-22(21)26-24-17-23(27-30(24)25)18-14-19(31-2)16-20(15-18)32-3/h14-17H,4-13H2,1-3H3
InChIKeyZMIDAICZJWUOGA-UHFFFAOYSA-N
XLogP3.82
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 1441877) is 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is CCCN1CCN(c2c3c(nc4cc(-c5cc(OC)cc(OC)c5)nn24)CCCC3)CC1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is ZMIDAICZJWUOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-4-9-28-10-12-29(13-11-28)25-21-7-5-6-8-22(21)26-24-17-23(27-30(24)25)18-14-19(31-2)16-20(15-18)32-3/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 435.57 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-9-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 1441877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).