4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine

C18H17N7 — CID 25165371

IUPAC4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4ccc(N)nc4)cc23)nc(N)n1
InChIInChI=1S/C18H17N7/c1-2-12-6-15(25-18(20)24-12)14-9-23-17-13(14)5-11(8-22-17)10-3-4-16(19)21-7-10/h3-9H,2H2,1H3,(H2,19,21)(H,22,23)(H2,20,24,25)
InChIKeyOAHPBQMQMWLROW-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.81
Rot. Bonds3

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

4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine (PubChem CID 25165371) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine
PubChem CID25165371
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4ccc(N)nc4)cc23)nc(N)n1
InChIInChI=1S/C18H17N7/c1-2-12-6-15(25-18(20)24-12)14-9-23-17-13(14)5-11(8-22-17)10-3-4-16(19)21-7-10/h3-9H,2H2,1H3,(H2,19,21)(H,22,23)(H2,20,24,25)
InChIKeyOAHPBQMQMWLROW-UHFFFAOYSA-N
XLogP2.81
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine (CID 25165371) is 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncc(-c4ccc(N)nc4)cc23)nc(N)n1.
What is the InChIKey of 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine?
The InChIKey is OAHPBQMQMWLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-2-12-6-15(25-18(20)24-12)14-9-23-17-13(14)5-11(8-22-17)10-3-4-16(19)21-7-10/h3-9H,2H2,1H3,(H2,19,21)(H,22,23)(H2,20,24,25).
What are the key properties of 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine?
4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-amino-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 25165371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).