methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate

C16H17ClN4O2 — CID 160803748

IUPACmethane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate
SMILESC.CC(C)OC(=O)c1cnc(Cl)nc1-c1cnc2ccccn12
InChIInChI=1S/C15H13ClN4O2.CH4/c1-9(2)22-14(21)10-7-18-15(16)19-13(10)11-8-17-12-5-3-4-6-20(11)12;/h3-9H,1-2H3;1H4
InChIKeySDKLXCBEIDSEBG-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.65
Rot. Bonds3

About methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate

methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate (PubChem CID 160803748) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate
PubChem CID160803748
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Namemethane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate
SMILESC.CC(C)OC(=O)c1cnc(Cl)nc1-c1cnc2ccccn12
InChIInChI=1S/C15H13ClN4O2.CH4/c1-9(2)22-14(21)10-7-18-15(16)19-13(10)11-8-17-12-5-3-4-6-20(11)12;/h3-9H,1-2H3;1H4
InChIKeySDKLXCBEIDSEBG-UHFFFAOYSA-N
XLogP3.65
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate?
The IUPAC name of methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate (CID 160803748) is methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate.
What is the SMILES notation for methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate?
The canonical SMILES for methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate is C.CC(C)OC(=O)c1cnc(Cl)nc1-c1cnc2ccccn12.
What is the InChIKey of methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate?
The InChIKey is SDKLXCBEIDSEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2.CH4/c1-9(2)22-14(21)10-7-18-15(16)19-13(10)11-8-17-12-5-3-4-6-20(11)12;/h3-9H,1-2H3;1H4.
What are the key properties of methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate?
methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate has a molecular weight of 332.79 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propan-2-yl 2-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 160803748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).