2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine

C24H26ClN6OP — CID 138515626

IUPAC2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1c(-c2cc(N3CCN(c4ncc(P(C)(C)=O)cn4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C24H26ClN6OP/c1-17-23(28-22-6-4-5-9-31(17)22)20-14-18(7-8-21(20)25)29-10-12-30(13-11-29)24-26-15-19(16-27-24)33(2,3)32/h4-9,14-16H,10-13H2,1-3H3
InChIKeyTVVZCULDNBCOGB-UHFFFAOYSA-N
MW480.94 g/mol
LogP4.33
Rot. Bonds4

About 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine

2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine (PubChem CID 138515626) has the molecular formula C24H26ClN6OP and a molecular weight of 480.94 g/mol. Its IUPAC name is 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine
PubChem CID138515626
Molecular FormulaC24H26ClN6OP
Molecular Weight480.94 g/mol
Exact Mass480.16
IUPAC Name2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine
SMILESCc1c(-c2cc(N3CCN(c4ncc(P(C)(C)=O)cn4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C24H26ClN6OP/c1-17-23(28-22-6-4-5-9-31(17)22)20-14-18(7-8-21(20)25)29-10-12-30(13-11-29)24-26-15-19(16-27-24)33(2,3)32/h4-9,14-16H,10-13H2,1-3H3
InChIKeyTVVZCULDNBCOGB-UHFFFAOYSA-N
XLogP4.33
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.94
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine (CID 138515626) is 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine is Cc1c(-c2cc(N3CCN(c4ncc(P(C)(C)=O)cn4)CC3)ccc2Cl)nc2ccccn12.
What is the InChIKey of 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine?
The InChIKey is TVVZCULDNBCOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN6OP/c1-17-23(28-22-6-4-5-9-31(17)22)20-14-18(7-8-21(20)25)29-10-12-30(13-11-29)24-26-15-19(16-27-24)33(2,3)32/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine?
2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine has a molecular weight of 480.94 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[4-(5-dimethylphosphorylpyrimidin-2-yl)piperazin-1-yl]phenyl]-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 138515626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).