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

C25H23N7O3 — CID 53391322

IUPACmethyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12
InChIInChI=1S/C25H23N7O3/c1-34-25(33)23-19(16-2-3-17-14-28-30-20(17)12-16)13-21(24-26-6-7-32(23)24)29-22-5-4-18(15-27-22)31-8-10-35-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,27,29)(H,28,30)
InChIKeyNABGSOKMSDXZLC-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.64
Rot. Bonds5

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

methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 53391322) has the molecular formula C25H23N7O3 and a molecular weight of 469.51 g/mol. Its IUPAC name is methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID53391322
Molecular FormulaC25H23N7O3
Molecular Weight469.51 g/mol
Exact Mass469.19
IUPAC Namemethyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12
InChIInChI=1S/C25H23N7O3/c1-34-25(33)23-19(16-2-3-17-14-28-30-20(17)12-16)13-21(24-26-6-7-32(23)24)29-22-5-4-18(15-27-22)31-8-10-35-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,27,29)(H,28,30)
InChIKeyNABGSOKMSDXZLC-UHFFFAOYSA-N
XLogP3.64
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate (CID 53391322) is methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.
What is the InChIKey of methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is NABGSOKMSDXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3/c1-34-25(33)23-19(16-2-3-17-14-28-30-20(17)12-16)13-21(24-26-6-7-32(23)24)29-22-5-4-18(15-27-22)31-8-10-35-11-9-31/h2-7,12-15H,8-11H2,1H3,(H,27,29)(H,28,30).
What are the key properties of methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 469.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 53391322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).