4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine

C21H26N8 — CID 58425504

IUPAC4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4cnn(CCN(C)C)c4)cc23)nc(NC)n1
InChIInChI=1S/C21H26N8/c1-5-16-9-19(27-21(22-2)26-16)18-12-24-20-17(18)8-14(10-23-20)15-11-25-29(13-15)7-6-28(3)4/h8-13H,5-7H2,1-4H3,(H,23,24)(H,22,26,27)
InChIKeyCPUMUAJNTXNHMY-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.05
Rot. Bonds7

About 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine

4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine (PubChem CID 58425504) has the molecular formula C21H26N8 and a molecular weight of 390.50 g/mol. Its IUPAC name is 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine
PubChem CID58425504
Molecular FormulaC21H26N8
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4cnn(CCN(C)C)c4)cc23)nc(NC)n1
InChIInChI=1S/C21H26N8/c1-5-16-9-19(27-21(22-2)26-16)18-12-24-20-17(18)8-14(10-23-20)15-11-25-29(13-15)7-6-28(3)4/h8-13H,5-7H2,1-4H3,(H,23,24)(H,22,26,27)
InChIKeyCPUMUAJNTXNHMY-UHFFFAOYSA-N
XLogP3.05
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine (CID 58425504) is 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncc(-c4cnn(CCN(C)C)c4)cc23)nc(NC)n1.
What is the InChIKey of 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine?
The InChIKey is CPUMUAJNTXNHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8/c1-5-16-9-19(27-21(22-2)26-16)18-12-24-20-17(18)8-14(10-23-20)15-11-25-29(13-15)7-6-28(3)4/h8-13H,5-7H2,1-4H3,(H,23,24)(H,22,26,27).
What are the key properties of 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine?
4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine has a molecular weight of 390.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 58425504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).