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

C17H17N7 — CID 67403554

IUPAC[4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(CN)n1
InChIInChI=1S/C17H17N7/c1-2-12-4-15(24-16(5-18)23-12)14-9-20-17-13(14)3-10(6-19-17)11-7-21-22-8-11/h3-4,6-9H,2,5,18H2,1H3,(H,19,20)(H,21,22)
InChIKeyROEGUXFFSUHVSC-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.43
Rot. Bonds4

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

[4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine (PubChem CID 67403554) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is [4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine
PubChem CID67403554
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name[4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(CN)n1
InChIInChI=1S/C17H17N7/c1-2-12-4-15(24-16(5-18)23-12)14-9-20-17-13(14)3-10(6-19-17)11-7-21-22-8-11/h3-4,6-9H,2,5,18H2,1H3,(H,19,20)(H,21,22)
InChIKeyROEGUXFFSUHVSC-UHFFFAOYSA-N
XLogP2.43
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.43
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-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine (CID 67403554) is [4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine is CCc1cc(-c2c[nH]c3ncc(-c4cn[nH]c4)cc23)nc(CN)n1.
What is the InChIKey of [4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine?
The InChIKey is ROEGUXFFSUHVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-2-12-4-15(24-16(5-18)23-12)14-9-20-17-13(14)3-10(6-19-17)11-7-21-22-8-11/h3-4,6-9H,2,5,18H2,1H3,(H,19,20)(H,21,22).
What are the key properties of [4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine?
[4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine has a molecular weight of 319.37 g/mol, XLogP of 2.43, 4 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-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine is sourced from PubChem (CID 67403554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).