N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C22H26BrFN4O2 — CID 55618266

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C
InChIInChI=1S/C22H26BrFN4O2/c1-6-28(12-15-11-16(23)7-9-18(15)24)19(29)10-8-17-13(2)20-21(25-14(17)3)27(4)26-22(20)30-5/h7,9,11H,6,8,10,12H2,1-5H3
InChIKeyZRXGTYXWWYEWOW-UHFFFAOYSA-N
MW477.38 g/mol
LogP4.48
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 55618266) has the molecular formula C22H26BrFN4O2 and a molecular weight of 477.38 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID55618266
Molecular FormulaC22H26BrFN4O2
Molecular Weight477.38 g/mol
Exact Mass476.12
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C
InChIInChI=1S/C22H26BrFN4O2/c1-6-28(12-15-11-16(23)7-9-18(15)24)19(29)10-8-17-13(2)20-21(25-14(17)3)27(4)26-22(20)30-5/h7,9,11H,6,8,10,12H2,1-5H3
InChIKeyZRXGTYXWWYEWOW-UHFFFAOYSA-N
XLogP4.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 55618266) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is CCN(Cc1cc(Br)ccc1F)C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is ZRXGTYXWWYEWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrFN4O2/c1-6-28(12-15-11-16(23)7-9-18(15)24)19(29)10-8-17-13(2)20-21(25-14(17)3)27(4)26-22(20)30-5/h7,9,11H,6,8,10,12H2,1-5H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 477.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 55618266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).