3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine

C19H20N6 — CID 58485921

IUPAC3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCn1cc(Cc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1
InChIInChI=1S/C19H20N6/c1-3-25-12-15(10-24-25)6-18-20-8-14(9-21-18)5-16-11-23-19-17(16)4-13(2)7-22-19/h4,7-12H,3,5-6H2,1-2H3,(H,22,23)
InChIKeyBLMQBBWNQVAIJQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.06
Rot. Bonds5

About 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine

3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58485921) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58485921
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCn1cc(Cc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1
InChIInChI=1S/C19H20N6/c1-3-25-12-15(10-24-25)6-18-20-8-14(9-21-18)5-16-11-23-19-17(16)4-13(2)7-22-19/h4,7-12H,3,5-6H2,1-2H3,(H,22,23)
InChIKeyBLMQBBWNQVAIJQ-UHFFFAOYSA-N
XLogP3.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58485878
5-methyl-3-[[2-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58485887
3-[[2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58485729
3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259190
N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58442166
5-methyl-3-[[5-methyl-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259413
3-[[6-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]-2-methyl-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259383
5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58338437
3-[[2-chloro-6-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259430
N-ethyl-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]acetamide
CID 147628685
2-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-N,N-dimethylaniline
CID 58442077
3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58258906

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine (CID 58485921) is 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine is CCn1cc(Cc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1.
What is the InChIKey of 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BLMQBBWNQVAIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-3-25-12-15(10-24-25)6-18-20-8-14(9-21-18)5-16-11-23-19-17(16)4-13(2)7-22-19/h4,7-12H,3,5-6H2,1-2H3,(H,22,23).
What are the key properties of 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 332.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58485921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).