6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine

C18H19N7 — CID 155149835

IUPAC6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine
SMILESCCn1cc(-c2ccc(N)c(NCc3ccc4nccn4c3)n2)cn1
InChIInChI=1S/C18H19N7/c1-2-25-12-14(10-22-25)16-5-4-15(19)18(23-16)21-9-13-3-6-17-20-7-8-24(17)11-13/h3-8,10-12H,2,9,19H2,1H3,(H,21,23)
InChIKeyJVDMUZBDJLRTJI-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.81
Rot. Bonds5

About 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine

6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine (PubChem CID 155149835) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine
PubChem CID155149835
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine
SMILESCCn1cc(-c2ccc(N)c(NCc3ccc4nccn4c3)n2)cn1
InChIInChI=1S/C18H19N7/c1-2-25-12-14(10-22-25)16-5-4-15(19)18(23-16)21-9-13-3-6-17-20-7-8-24(17)11-13/h3-8,10-12H,2,9,19H2,1H3,(H,21,23)
InChIKeyJVDMUZBDJLRTJI-UHFFFAOYSA-N
XLogP2.81
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine (CID 155149835) is 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine is CCn1cc(-c2ccc(N)c(NCc3ccc4nccn4c3)n2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine?
The InChIKey is JVDMUZBDJLRTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-2-25-12-14(10-22-25)16-5-4-15(19)18(23-16)21-9-13-3-6-17-20-7-8-24(17)11-13/h3-8,10-12H,2,9,19H2,1H3,(H,21,23).
What are the key properties of 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine?
6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine has a molecular weight of 333.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-2-N-(imidazo[1,2-a]pyridin-6-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 155149835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).