4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C16H13N5 — CID 162761011

IUPAC4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccncc2)n1
InChIInChI=1S/C16H13N5/c1-21-10-14(15(20-21)11-2-6-17-7-3-11)12-4-8-18-16-13(12)5-9-19-16/h2-10H,1H3,(H,18,19)
InChIKeyVYVJOGZFSJVWME-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.03
Rot. Bonds2

About 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162761011) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID162761011
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccncc2)n1
InChIInChI=1S/C16H13N5/c1-21-10-14(15(20-21)11-2-6-17-7-3-11)12-4-8-18-16-13(12)5-9-19-16/h2-10H,1H3,(H,18,19)
InChIKeyVYVJOGZFSJVWME-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 162761011) is 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2ccnc3[nH]ccc23)c(-c2ccncc2)n1.
What is the InChIKey of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VYVJOGZFSJVWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-21-10-14(15(20-21)11-2-6-17-7-3-11)12-4-8-18-16-13(12)5-9-19-16/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 275.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162761011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).