7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C25H21BrN6O — CID 53261894

IUPAC7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(Br)ccn45)cccc32)n1
InChIInChI=1S/C25H21BrN6O/c1-15-4-2-5-18(28-15)14-32-20-7-3-6-19(23(20)24(30-32)16-8-9-16)29-25(33)21-13-27-22-12-17(26)10-11-31(21)22/h2-7,10-13,16H,8-9,14H2,1H3,(H,29,33)
InChIKeyKAFOGPUHXJUEJA-UHFFFAOYSA-N
MW501.39 g/mol
LogP5.33
Rot. Bonds5

About 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53261894) has the molecular formula C25H21BrN6O and a molecular weight of 501.39 g/mol. Its IUPAC name is 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53261894
Molecular FormulaC25H21BrN6O
Molecular Weight501.39 g/mol
Exact Mass500.10
IUPAC Name7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(Br)ccn45)cccc32)n1
InChIInChI=1S/C25H21BrN6O/c1-15-4-2-5-18(28-15)14-32-20-7-3-6-19(23(20)24(30-32)16-8-9-16)29-25(33)21-13-27-22-12-17(26)10-11-31(21)22/h2-7,10-13,16H,8-9,14H2,1H3,(H,29,33)
InChIKeyKAFOGPUHXJUEJA-UHFFFAOYSA-N
XLogP5.33
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53261894) is 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(Br)ccn45)cccc32)n1.
What is the InChIKey of 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KAFOGPUHXJUEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN6O/c1-15-4-2-5-18(28-15)14-32-20-7-3-6-19(23(20)24(30-32)16-8-9-16)29-25(33)21-13-27-22-12-17(26)10-11-31(21)22/h2-7,10-13,16H,8-9,14H2,1H3,(H,29,33).
What are the key properties of 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 501.39 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53261894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).