2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide

C21H22FN7O — CID 156521871

IUPAC2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCc1nn(-c2cccc(F)c2)c(C)c1Nc1nccc2c1ncn2CC(=O)N(C)C
InChIInChI=1S/C21H22FN7O/c1-13-19(14(2)29(26-13)16-7-5-6-15(22)10-16)25-21-20-17(8-9-23-21)28(12-24-20)11-18(30)27(3)4/h5-10,12H,11H2,1-4H3,(H,23,25)
InChIKeyWWEVNFUTVQWUBP-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.20
Rot. Bonds5

About 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide

2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 156521871) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID156521871
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCc1nn(-c2cccc(F)c2)c(C)c1Nc1nccc2c1ncn2CC(=O)N(C)C
InChIInChI=1S/C21H22FN7O/c1-13-19(14(2)29(26-13)16-7-5-6-15(22)10-16)25-21-20-17(8-9-23-21)28(12-24-20)11-18(30)27(3)4/h5-10,12H,11H2,1-4H3,(H,23,25)
InChIKeyWWEVNFUTVQWUBP-UHFFFAOYSA-N
XLogP3.20
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide (CID 156521871) is 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide is Cc1nn(-c2cccc(F)c2)c(C)c1Nc1nccc2c1ncn2CC(=O)N(C)C.
What is the InChIKey of 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is WWEVNFUTVQWUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-13-19(14(2)29(26-13)16-7-5-6-15(22)10-16)25-21-20-17(8-9-23-21)28(12-24-20)11-18(30)27(3)4/h5-10,12H,11H2,1-4H3,(H,23,25).
What are the key properties of 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 407.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 156521871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).