methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate

C23H27ClN4O3 — CID 55802850

IUPACmethyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C23H27ClN4O3/c1-14(2)20-10-18(19-11-25-28(15(3)4)22(19)26-20)23(30)27(13-21(29)31-5)12-16-6-8-17(24)9-7-16/h6-11,14-15H,12-13H2,1-5H3
InChIKeyUHBKZWUJKLJJQS-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.60
Rot. Bonds7

About methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate

methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate (PubChem CID 55802850) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
PubChem CID55802850
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
InChIInChI=1S/C23H27ClN4O3/c1-14(2)20-10-18(19-11-25-28(15(3)4)22(19)26-20)23(30)27(13-21(29)31-5)12-16-6-8-17(24)9-7-16/h6-11,14-15H,12-13H2,1-5H3
InChIKeyUHBKZWUJKLJJQS-UHFFFAOYSA-N
XLogP4.60
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate (CID 55802850) is methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate is COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
The InChIKey is UHBKZWUJKLJJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-14(2)20-10-18(19-11-25-28(15(3)4)22(19)26-20)23(30)27(13-21(29)31-5)12-16-6-8-17(24)9-7-16/h6-11,14-15H,12-13H2,1-5H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate has a molecular weight of 442.95 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate is sourced from PubChem (CID 55802850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).