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

C30H32N8O2 — CID 67259558

IUPAC3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NC5CCN(C)C5)ccn34)c12
InChIInChI=1S/C30H32N8O2/c1-4-23-28-24(9-6-10-25(28)38(35-23)18-21-8-5-7-19(2)32-21)34-30(40)26-16-31-27-15-20(11-14-37(26)27)29(39)33-22-12-13-36(3)17-22/h5-11,14-16,22H,4,12-13,17-18H2,1-3H3,(H,33,39)(H,34,40)
InChIKeyGXEOVLLINHXMNO-UHFFFAOYSA-N
MW536.64 g/mol
LogP3.68
Rot. Bonds7

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

3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide (PubChem CID 67259558) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide
PubChem CID67259558
Molecular FormulaC30H32N8O2
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NC5CCN(C)C5)ccn34)c12
InChIInChI=1S/C30H32N8O2/c1-4-23-28-24(9-6-10-25(28)38(35-23)18-21-8-5-7-19(2)32-21)34-30(40)26-16-31-27-15-20(11-14-37(26)27)29(39)33-22-12-13-36(3)17-22/h5-11,14-16,22H,4,12-13,17-18H2,1-3H3,(H,33,39)(H,34,40)
InChIKeyGXEOVLLINHXMNO-UHFFFAOYSA-N
XLogP3.68
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide?
The IUPAC name of 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide (CID 67259558) is 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide.
What is the SMILES notation for 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide?
The canonical SMILES for 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NC5CCN(C)C5)ccn34)c12.
What is the InChIKey of 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide?
The InChIKey is GXEOVLLINHXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-4-23-28-24(9-6-10-25(28)38(35-23)18-21-8-5-7-19(2)32-21)34-30(40)26-16-31-27-15-20(11-14-37(26)27)29(39)33-22-12-13-36(3)17-22/h5-11,14-16,22H,4,12-13,17-18H2,1-3H3,(H,33,39)(H,34,40).
What are the key properties of 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide?
3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide has a molecular weight of 536.64 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide is sourced from PubChem (CID 67259558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).