6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid

C24H21N7O3 — CID 53391321

IUPAC6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12
InChIInChI=1S/C24H21N7O3/c32-24(33)22-18(15-1-2-16-13-27-29-19(16)11-15)12-20(23-25-5-6-31(22)23)28-21-4-3-17(14-26-21)30-7-9-34-10-8-30/h1-6,11-14H,7-10H2,(H,26,28)(H,27,29)(H,32,33)
InChIKeyVNVXBPDUZLOFDL-UHFFFAOYSA-N
MW455.48 g/mol
LogP3.55
Rot. Bonds5

About 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid

6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 53391321) has the molecular formula C24H21N7O3 and a molecular weight of 455.48 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID53391321
Molecular FormulaC24H21N7O3
Molecular Weight455.48 g/mol
Exact Mass455.17
IUPAC Name6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12
InChIInChI=1S/C24H21N7O3/c32-24(33)22-18(15-1-2-16-13-27-29-19(16)11-15)12-20(23-25-5-6-31(22)23)28-21-4-3-17(14-26-21)30-7-9-34-10-8-30/h1-6,11-14H,7-10H2,(H,26,28)(H,27,29)(H,32,33)
InChIKeyVNVXBPDUZLOFDL-UHFFFAOYSA-N
XLogP3.55
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 53391321) is 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.
What is the InChIKey of 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is VNVXBPDUZLOFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3/c32-24(33)22-18(15-1-2-16-13-27-29-19(16)11-15)12-20(23-25-5-6-31(22)23)28-21-4-3-17(14-26-21)30-7-9-34-10-8-30/h1-6,11-14H,7-10H2,(H,26,28)(H,27,29)(H,32,33).
What are the key properties of 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid?
6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 455.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 53391321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).