1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine

C22H29N7 — CID 67996283

IUPAC1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine
SMILESc1cc(CCCN2CCCC2)cc(-c2nn(N3CCNCC3)c3ncncc23)c1
InChIInChI=1S/C22H29N7/c1-2-11-27(10-1)12-4-6-18-5-3-7-19(15-18)21-20-16-24-17-25-22(20)29(26-21)28-13-8-23-9-14-28/h3,5,7,15-17,23H,1-2,4,6,8-14H2
InChIKeyVKUULOSXAIRGER-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.06
Rot. Bonds6

About 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine

1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 67996283) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine
PubChem CID67996283
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC Name1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine
SMILESc1cc(CCCN2CCCC2)cc(-c2nn(N3CCNCC3)c3ncncc23)c1
InChIInChI=1S/C22H29N7/c1-2-11-27(10-1)12-4-6-18-5-3-7-19(15-18)21-20-16-24-17-25-22(20)29(26-21)28-13-8-23-9-14-28/h3,5,7,15-17,23H,1-2,4,6,8-14H2
InChIKeyVKUULOSXAIRGER-UHFFFAOYSA-N
XLogP2.06
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine
CID 141070754
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
5-(4-piperazin-1-ylbutyl)pyrimidine
CID 121009202
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
3-(3-piperazin-1-ylpropyl)isoquinoline
CID 170868308
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117402586
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine (CID 67996283) is 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine is c1cc(CCCN2CCCC2)cc(-c2nn(N3CCNCC3)c3ncncc23)c1.
What is the InChIKey of 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is VKUULOSXAIRGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-2-11-27(10-1)12-4-6-18-5-3-7-19(15-18)21-20-16-24-17-25-22(20)29(26-21)28-13-8-23-9-14-28/h3,5,7,15-17,23H,1-2,4,6,8-14H2.
What are the key properties of 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine?
1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 391.52 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[3-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 67996283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).