methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate

C22H18ClN3O3 — CID 123774160

About methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate

methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate (PubChem CID 123774160) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
• PubChem CID: 123774160
• Molecular Formula: C22H18ClN3O3
• Molecular Weight: 407.86 g/mol
• Exact Mass: 407.10
• IUPAC Name: methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1cccc(C(O)c2c(-c3ccccc3)nn3cc(Cl)c(C)cc23)n1
• InChI: InChI=1S/C22H18ClN3O3/c1-13-11-18-19(21(27)16-9-6-10-17(24-16)22(28)29-2)20(14-7-4-3-5-8-14)25-26(18)12-15(13)23/h3-12,21,27H,1-2H3
• InChIKey: NFNDBGNXSZNBHQ-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 76.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.86
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?

The IUPAC name of methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate (CID 123774160) is methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?

The canonical SMILES for methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(O)c2c(-c3ccccc3)nn3cc(Cl)c(C)cc23)n1.

What is the InChIKey of methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?

The InChIKey is NFNDBGNXSZNBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-13-11-18-19(21(27)16-9-6-10-17(24-16)22(28)29-2)20(14-7-4-3-5-8-14)25-26(18)12-15(13)23/h3-12,21,27H,1-2H3.

What are the key properties of methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate?

methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate has a molecular weight of 407.86 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[(6-chloro-5-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate is sourced from PubChem (CID 123774160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).