4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine

C19H21N7 — CID 126893689

IUPAC4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESc1ccc(N2CCN(C3CN(c4ncnc5ncccc45)C3)CC2)nc1
InChIInChI=1S/C19H21N7/c1-2-6-20-17(5-1)25-10-8-24(9-11-25)15-12-26(13-15)19-16-4-3-7-21-18(16)22-14-23-19/h1-7,14-15H,8-13H2
InChIKeyMGKKBSPKVJUUMJ-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.43
Rot. Bonds3

About 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine

4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 126893689) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID126893689
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESc1ccc(N2CCN(C3CN(c4ncnc5ncccc45)C3)CC2)nc1
InChIInChI=1S/C19H21N7/c1-2-6-20-17(5-1)25-10-8-24(9-11-25)15-12-26(13-15)19-16-4-3-7-21-18(16)22-14-23-19/h1-7,14-15H,8-13H2
InChIKeyMGKKBSPKVJUUMJ-UHFFFAOYSA-N
XLogP1.43
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine (CID 126893689) is 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine is c1ccc(N2CCN(C3CN(c4ncnc5ncccc45)C3)CC2)nc1.
What is the InChIKey of 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is MGKKBSPKVJUUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-2-6-20-17(5-1)25-10-8-24(9-11-25)15-12-26(13-15)19-16-4-3-7-21-18(16)22-14-23-19/h1-7,14-15H,8-13H2.
What are the key properties of 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine?
4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 347.43 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 126893689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).