4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

C18H15N5O — CID 166635454

IUPAC4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cn1
InChIInChI=1S/C18H15N5O/c1-23-10-14(8-22-23)13-6-15-16(9-21-18(15)20-7-13)11-2-4-12(5-3-11)17(19)24/h2-10H,1H3,(H2,19,24)(H,20,21)
InChIKeyRHRVNTUPSVILAO-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.73
Rot. Bonds3

About 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (PubChem CID 166635454) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
PubChem CID166635454
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cn1
InChIInChI=1S/C18H15N5O/c1-23-10-14(8-22-23)13-6-15-16(9-21-18(15)20-7-13)11-2-4-12(5-3-11)17(19)24/h2-10H,1H3,(H2,19,24)(H,20,21)
InChIKeyRHRVNTUPSVILAO-UHFFFAOYSA-N
XLogP2.73
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (CID 166635454) is 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is Cn1cc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cn1.
What is the InChIKey of 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The InChIKey is RHRVNTUPSVILAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-23-10-14(8-22-23)13-6-15-16(9-21-18(15)20-7-13)11-2-4-12(5-3-11)17(19)24/h2-10H,1H3,(H2,19,24)(H,20,21).
What are the key properties of 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 317.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 166635454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).