3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene

C37H47Br2N5O3 — CID 159898701

IUPAC3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene
SMILESC.C.CC.CC.Cc1ccccc1C.Cc1ccccc1NC(=O)c1ccn2ncc(Br)c2c1.O=C(O)c1ccn2ncc(Br)c2c1
InChIInChI=1S/C15H12BrN3O.C8H5BrN2O2.C8H10.2C2H6.2CH4/c1-10-4-2-3-5-13(10)18-15(20)11-6-7-19-14(8-11)12(16)9-17-19;9-6-4-10-11-2-1-5(8(12)13)3-7(6)11;1-7-5-3-4-6-8(7)2;2*1-2;;/h2-9H,1H3,(H,18,20);1-4H,(H,12,13);3-6H,1-2H3;2*1-2H3;2*1H4
InChIKeyNVRFCRWDQJMBMO-UHFFFAOYSA-N
MW769.62 g/mol
LogP11.08
Rot. Bonds3

About 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene

3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene (PubChem CID 159898701) has the molecular formula C37H47Br2N5O3 and a molecular weight of 769.62 g/mol. Its IUPAC name is 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene.

Molecular Properties

Compound Name3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene
PubChem CID159898701
Molecular FormulaC37H47Br2N5O3
Molecular Weight769.62 g/mol
Exact Mass767.20
IUPAC Name3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene
SMILESC.C.CC.CC.Cc1ccccc1C.Cc1ccccc1NC(=O)c1ccn2ncc(Br)c2c1.O=C(O)c1ccn2ncc(Br)c2c1
InChIInChI=1S/C15H12BrN3O.C8H5BrN2O2.C8H10.2C2H6.2CH4/c1-10-4-2-3-5-13(10)18-15(20)11-6-7-19-14(8-11)12(16)9-17-19;9-6-4-10-11-2-1-5(8(12)13)3-7(6)11;1-7-5-3-4-6-8(7)2;2*1-2;;/h2-9H,1H3,(H,18,20);1-4H,(H,12,13);3-6H,1-2H3;2*1-2H3;2*1H4
InChIKeyNVRFCRWDQJMBMO-UHFFFAOYSA-N
XLogP11.08
TPSA101.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.62
LogP ≤ 511.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(2-aminospiro[3.3]heptan-6-yl)-2H-phthalazin-1-one;6-bromo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid
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3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;2-methylaniline
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene?
The IUPAC name of 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene (CID 159898701) is 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene.
What is the SMILES notation for 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene?
The canonical SMILES for 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene is C.C.CC.CC.Cc1ccccc1C.Cc1ccccc1NC(=O)c1ccn2ncc(Br)c2c1.O=C(O)c1ccn2ncc(Br)c2c1.
What is the InChIKey of 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene?
The InChIKey is NVRFCRWDQJMBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O.C8H5BrN2O2.C8H10.2C2H6.2CH4/c1-10-4-2-3-5-13(10)18-15(20)11-6-7-19-14(8-11)12(16)9-17-19;9-6-4-10-11-2-1-5(8(12)13)3-7(6)11;1-7-5-3-4-6-8(7)2;2*1-2;;/h2-9H,1H3,(H,18,20);1-4H,(H,12,13);3-6H,1-2H3;2*1-2H3;2*1H4.
What are the key properties of 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene?
3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene has a molecular weight of 769.62 g/mol, XLogP of 11.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide;3-bromopyrazolo[1,5-a]pyridine-5-carboxylic acid;ethane;methane;1,2-xylene is sourced from PubChem (CID 159898701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).