adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid

C19H21Br2N3O3 — CID 68798925

IUPACadamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESNC(=O)C12CC3CC(CC(C3)C1)C2.O=C(O)c1cc2c(Br)cc(Br)cn2n1
InChIInChI=1S/C11H17NO.C8H4Br2N2O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;9-4-1-5(10)7-2-6(8(13)14)11-12(7)3-4/h7-9H,1-6H2,(H2,12,13);1-3H,(H,13,14)
InChIKeyWANPPGXKBYUEMY-UHFFFAOYSA-N
MW499.20 g/mol
LogP4.25
Rot. Bonds2

About adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid

adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 68798925) has the molecular formula C19H21Br2N3O3 and a molecular weight of 499.20 g/mol. Its IUPAC name is adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameadamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID68798925
Molecular FormulaC19H21Br2N3O3
Molecular Weight499.20 g/mol
Exact Mass496.99
IUPAC Nameadamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESNC(=O)C12CC3CC(CC(C3)C1)C2.O=C(O)c1cc2c(Br)cc(Br)cn2n1
InChIInChI=1S/C11H17NO.C8H4Br2N2O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;9-4-1-5(10)7-2-6(8(13)14)11-12(7)3-4/h7-9H,1-6H2,(H2,12,13);1-3H,(H,13,14)
InChIKeyWANPPGXKBYUEMY-UHFFFAOYSA-N
XLogP4.25
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.20
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 68798925) is adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid is NC(=O)C12CC3CC(CC(C3)C1)C2.O=C(O)c1cc2c(Br)cc(Br)cn2n1.
What is the InChIKey of adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is WANPPGXKBYUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C8H4Br2N2O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;9-4-1-5(10)7-2-6(8(13)14)11-12(7)3-4/h7-9H,1-6H2,(H2,12,13);1-3H,(H,13,14).
What are the key properties of adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid?
adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 499.20 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxamide;4,6-dibromopyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 68798925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).