3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide

C19H26N6O — CID 51492642

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide
SMILESCc1cc(C)n(CCC(=O)N[C@@H](C)c2nc3cccnc3n2C(C)C)n1
InChIInChI=1S/C19H26N6O/c1-12(2)25-18(22-16-7-6-9-20-19(16)25)15(5)21-17(26)8-10-24-14(4)11-13(3)23-24/h6-7,9,11-12,15H,8,10H2,1-5H3,(H,21,26)/t15-/m0/s1
InChIKeyDAAZDVADPJMMQO-HNNXBMFYSA-N
MW354.46 g/mol
LogP3.09
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide (PubChem CID 51492642) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide
PubChem CID51492642
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide
SMILESCc1cc(C)n(CCC(=O)N[C@@H](C)c2nc3cccnc3n2C(C)C)n1
InChIInChI=1S/C19H26N6O/c1-12(2)25-18(22-16-7-6-9-20-19(16)25)15(5)21-17(26)8-10-24-14(4)11-13(3)23-24/h6-7,9,11-12,15H,8,10H2,1-5H3,(H,21,26)/t15-/m0/s1
InChIKeyDAAZDVADPJMMQO-HNNXBMFYSA-N
XLogP3.09
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide (CID 51492642) is 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide is Cc1cc(C)n(CCC(=O)N[C@@H](C)c2nc3cccnc3n2C(C)C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide?
The InChIKey is DAAZDVADPJMMQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-12(2)25-18(22-16-7-6-9-20-19(16)25)15(5)21-17(26)8-10-24-14(4)11-13(3)23-24/h6-7,9,11-12,15H,8,10H2,1-5H3,(H,21,26)/t15-/m0/s1.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide has a molecular weight of 354.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]propanamide is sourced from PubChem (CID 51492642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).