4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine

C26H29N7 — CID 11351150

IUPAC4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine
SMILESc1ccc(CCN2CCN(c3ncnc4c(-c5ncccn5)c5n(c34)CCCC5)CC2)cc1
InChIInChI=1S/C26H29N7/c1-2-7-20(8-3-1)10-14-31-15-17-32(18-16-31)26-24-23(29-19-30-26)22(25-27-11-6-12-28-25)21-9-4-5-13-33(21)24/h1-3,6-8,11-12,19H,4-5,9-10,13-18H2
InChIKeyXIKLXZWNLSQCAS-UHFFFAOYSA-N
MW439.57 g/mol
LogP3.59
Rot. Bonds5

About 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine

4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine (PubChem CID 11351150) has the molecular formula C26H29N7 and a molecular weight of 439.57 g/mol. Its IUPAC name is 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine.

Molecular Properties

Compound Name4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine
PubChem CID11351150
Molecular FormulaC26H29N7
Molecular Weight439.57 g/mol
Exact Mass439.25
IUPAC Name4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine
SMILESc1ccc(CCN2CCN(c3ncnc4c(-c5ncccn5)c5n(c34)CCCC5)CC2)cc1
InChIInChI=1S/C26H29N7/c1-2-7-20(8-3-1)10-14-31-15-17-32(18-16-31)26-24-23(29-19-30-26)22(25-27-11-6-12-28-25)21-9-4-5-13-33(21)24/h1-3,6-8,11-12,19H,4-5,9-10,13-18H2
InChIKeyXIKLXZWNLSQCAS-UHFFFAOYSA-N
XLogP3.59
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine 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-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine?
The IUPAC name of 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine (CID 11351150) is 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine.
What is the SMILES notation for 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine?
The canonical SMILES for 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine is c1ccc(CCN2CCN(c3ncnc4c(-c5ncccn5)c5n(c34)CCCC5)CC2)cc1.
What is the InChIKey of 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine?
The InChIKey is XIKLXZWNLSQCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7/c1-2-7-20(8-3-1)10-14-31-15-17-32(18-16-31)26-24-23(29-19-30-26)22(25-27-11-6-12-28-25)21-9-4-5-13-33(21)24/h1-3,6-8,11-12,19H,4-5,9-10,13-18H2.
What are the key properties of 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine?
4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine has a molecular weight of 439.57 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylethyl)piperazin-1-yl]-10-pyrimidin-2-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine is sourced from PubChem (CID 11351150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).