methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate

C23H19ClN6O3 — CID 153430990

IUPACmethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)cn2c1
InChIInChI=1S/C23H19ClN6O3/c1-33-23(32)15-2-5-22-27-18(12-29(22)10-15)13-30-11-16(9-26-30)21(31)4-3-19-20-8-17(24)6-7-28(20)14-25-19/h2,5-12,14H,3-4,13H2,1H3
InChIKeyIYWQHAGIZFOWDU-UHFFFAOYSA-N
MW462.90 g/mol
LogP3.48
Rot. Bonds7

About methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 153430990) has the molecular formula C23H19ClN6O3 and a molecular weight of 462.90 g/mol. Its IUPAC name is methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID153430990
Molecular FormulaC23H19ClN6O3
Molecular Weight462.90 g/mol
Exact Mass462.12
IUPAC Namemethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)cn2c1
InChIInChI=1S/C23H19ClN6O3/c1-33-23(32)15-2-5-22-27-18(12-29(22)10-15)13-30-11-16(9-26-30)21(31)4-3-19-20-8-17(24)6-7-28(20)14-25-19/h2,5-12,14H,3-4,13H2,1H3
InChIKeyIYWQHAGIZFOWDU-UHFFFAOYSA-N
XLogP3.48
TPSA95.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 153430990) is methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)cn2c1.
What is the InChIKey of methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is IYWQHAGIZFOWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O3/c1-33-23(32)15-2-5-22-27-18(12-29(22)10-15)13-30-11-16(9-26-30)21(31)4-3-19-20-8-17(24)6-7-28(20)14-25-19/h2,5-12,14H,3-4,13H2,1H3.
What are the key properties of methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 462.90 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 153430990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).