6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C19H16ClN5O2 — CID 167856098

IUPAC6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(N(C)C(=O)c2c[nH]c3nc(Cl)ccc23)n[nH]1
InChIInChI=1S/C19H16ClN5O2/c1-25(19(26)13-10-21-18-11(13)7-8-16(20)22-18)17-9-14(23-24-17)12-5-3-4-6-15(12)27-2/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyXAABWFNIIFJLMU-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.89
Rot. Bonds4

About 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 167856098) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID167856098
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(N(C)C(=O)c2c[nH]c3nc(Cl)ccc23)n[nH]1
InChIInChI=1S/C19H16ClN5O2/c1-25(19(26)13-10-21-18-11(13)7-8-16(20)22-18)17-9-14(23-24-17)12-5-3-4-6-15(12)27-2/h3-10H,1-2H3,(H,21,22)(H,23,24)
InChIKeyXAABWFNIIFJLMU-UHFFFAOYSA-N
XLogP3.89
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 167856098) is 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COc1ccccc1-c1cc(N(C)C(=O)c2c[nH]c3nc(Cl)ccc23)n[nH]1.
What is the InChIKey of 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is XAABWFNIIFJLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-25(19(26)13-10-21-18-11(13)7-8-16(20)22-18)17-9-14(23-24-17)12-5-3-4-6-15(12)27-2/h3-10H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 167856098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).