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

C20H24N8 — CID 44596118

IUPAC4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4cnn(CCN(C)C)c4)cc23)nc(N)n1
InChIInChI=1S/C20H24N8/c1-4-15-8-18(26-20(21)25-15)17-11-23-19-16(17)7-13(9-22-19)14-10-24-28(12-14)6-5-27(2)3/h7-12H,4-6H2,1-3H3,(H,22,23)(H2,21,25,26)
InChIKeySXIKIZKLTINDTH-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.59
Rot. Bonds6

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

4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine (PubChem CID 44596118) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine
PubChem CID44596118
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4cnn(CCN(C)C)c4)cc23)nc(N)n1
InChIInChI=1S/C20H24N8/c1-4-15-8-18(26-20(21)25-15)17-11-23-19-16(17)7-13(9-22-19)14-10-24-28(12-14)6-5-27(2)3/h7-12H,4-6H2,1-3H3,(H,22,23)(H2,21,25,26)
InChIKeySXIKIZKLTINDTH-UHFFFAOYSA-N
XLogP2.59
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.59
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-ethylpyrimidin-2-amine?
The IUPAC name of 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine (CID 44596118) is 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-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-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncc(-c4cnn(CCN(C)C)c4)cc23)nc(N)n1.
What is the InChIKey of 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine?
The InChIKey is SXIKIZKLTINDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8/c1-4-15-8-18(26-20(21)25-15)17-11-23-19-16(17)7-13(9-22-19)14-10-24-28(12-14)6-5-27(2)3/h7-12H,4-6H2,1-3H3,(H,22,23)(H2,21,25,26).
What are the key properties of 4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine?
4-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine has a molecular weight of 376.47 g/mol, XLogP of 2.59, 6 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-ethylpyrimidin-2-amine is sourced from PubChem (CID 44596118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).