methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate

C19H19BrN4O3 — CID 123784237

IUPACmethyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(N3CCOCC3)nn3cc(Br)ccc23)n1
InChIInChI=1S/C19H19BrN4O3/c1-26-19(25)16-4-2-3-14(21-16)11-15-17-6-5-13(20)12-24(17)22-18(15)23-7-9-27-10-8-23/h2-6,12H,7-11H2,1H3
InChIKeyISZBWINSQFUPNE-UHFFFAOYSA-N
MW431.29 g/mol
LogP2.71
Rot. Bonds4

About methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate

methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 123784237) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
PubChem CID123784237
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC Namemethyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(N3CCOCC3)nn3cc(Br)ccc23)n1
InChIInChI=1S/C19H19BrN4O3/c1-26-19(25)16-4-2-3-14(21-16)11-15-17-6-5-13(20)12-24(17)22-18(15)23-7-9-27-10-8-23/h2-6,12H,7-11H2,1H3
InChIKeyISZBWINSQFUPNE-UHFFFAOYSA-N
XLogP2.71
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

6-[(6-Bromo-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151285
6-[(6-Chloro-2-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151421
6-[[6-Chloro-2-(morpholin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704880
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Diethyl 2-morpholino-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52946243
3-Methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742967
Methyl 6-(6-bromo-1h-indazol-1-yl)pyridine-2-carboxylate
CID 118664098
Ethyl 2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carboxylate
CID 21027461
Methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704855
Methyl 6-[[2-phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 86704857
Ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741480
Ethyl 1-(4-fluorophenyl)-4-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741735

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate (CID 123784237) is methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(N3CCOCC3)nn3cc(Br)ccc23)n1.
What is the InChIKey of methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is ISZBWINSQFUPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-26-19(25)16-4-2-3-14(21-16)11-15-17-6-5-13(20)12-24(17)22-18(15)23-7-9-27-10-8-23/h2-6,12H,7-11H2,1H3.
What are the key properties of methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 431.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 123784237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).