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

C16H15N7 — CID 25165774

IUPAC4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4ccn[nH]4)cc23)nc(N)n1
InChIInChI=1S/C16H15N7/c1-2-10-6-14(22-16(17)21-10)12-8-19-15-11(12)5-9(7-18-15)13-3-4-20-23-13/h3-8H,2H2,1H3,(H,18,19)(H,20,23)(H2,17,21,22)
InChIKeyALKWULYFERWLTF-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.55
Rot. Bonds3

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

4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 25165774) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID25165774
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4ccn[nH]4)cc23)nc(N)n1
InChIInChI=1S/C16H15N7/c1-2-10-6-14(22-16(17)21-10)12-8-19-15-11(12)5-9(7-18-15)13-3-4-20-23-13/h3-8H,2H2,1H3,(H,18,19)(H,20,23)(H2,17,21,22)
InChIKeyALKWULYFERWLTF-UHFFFAOYSA-N
XLogP2.55
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 25165774) is 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncc(-c4ccn[nH]4)cc23)nc(N)n1.
What is the InChIKey of 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is ALKWULYFERWLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-2-10-6-14(22-16(17)21-10)12-8-19-15-11(12)5-9(7-18-15)13-3-4-20-23-13/h3-8H,2H2,1H3,(H,18,19)(H,20,23)(H2,17,21,22).
What are the key properties of 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 305.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[5-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 25165774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).