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

C27H28N6O4 — CID 67259720

IUPAC7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(O)CO)ccn34)c12
InChIInChI=1S/C27H28N6O4/c1-3-21-26-22(8-5-9-23(26)33(31-21)14-18-7-4-6-17(2)29-18)30-27(36)24-13-28-25-12-20(10-11-32(24)25)37-16-19(35)15-34/h4-13,19,34-35H,3,14-16H2,1-2H3,(H,30,36)
InChIKeyGGGKCVZNBSKLMB-UHFFFAOYSA-N
MW500.56 g/mol
LogP2.98
Rot. Bonds9

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

7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259720) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259720
Molecular FormulaC27H28N6O4
Molecular Weight500.56 g/mol
Exact Mass500.22
IUPAC Name7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(O)CO)ccn34)c12
InChIInChI=1S/C27H28N6O4/c1-3-21-26-22(8-5-9-23(26)33(31-21)14-18-7-4-6-17(2)29-18)30-27(36)24-13-28-25-12-20(10-11-32(24)25)37-16-19(35)15-34/h4-13,19,34-35H,3,14-16H2,1-2H3,(H,30,36)
InChIKeyGGGKCVZNBSKLMB-UHFFFAOYSA-N
XLogP2.98
TPSA126.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259720) is 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(O)CO)ccn34)c12.
What is the InChIKey of 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GGGKCVZNBSKLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4/c1-3-21-26-22(8-5-9-23(26)33(31-21)14-18-7-4-6-17(2)29-18)30-27(36)24-13-28-25-12-20(10-11-32(24)25)37-16-19(35)15-34/h4-13,19,34-35H,3,14-16H2,1-2H3,(H,30,36).
What are the key properties of 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroxypropoxy)-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).