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

C29H30N8O2 — CID 67259833

IUPAC3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NC5CCNC5)ccn34)c12
InChIInChI=1S/C29H30N8O2/c1-3-22-27-23(8-5-9-24(27)37(35-22)17-21-7-4-6-18(2)32-21)34-29(39)25-16-31-26-14-19(11-13-36(25)26)28(38)33-20-10-12-30-15-20/h4-9,11,13-14,16,20,30H,3,10,12,15,17H2,1-2H3,(H,33,38)(H,34,39)
InChIKeySKNVXLIQXHNREQ-UHFFFAOYSA-N
MW522.61 g/mol
LogP3.34
Rot. Bonds7

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

3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide (PubChem CID 67259833) has the molecular formula C29H30N8O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[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-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide
PubChem CID67259833
Molecular FormulaC29H30N8O2
Molecular Weight522.61 g/mol
Exact Mass522.25
IUPAC Name3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NC5CCNC5)ccn34)c12
InChIInChI=1S/C29H30N8O2/c1-3-22-27-23(8-5-9-24(27)37(35-22)17-21-7-4-6-18(2)32-21)34-29(39)25-16-31-26-14-19(11-13-36(25)26)28(38)33-20-10-12-30-15-20/h4-9,11,13-14,16,20,30H,3,10,12,15,17H2,1-2H3,(H,33,38)(H,34,39)
InChIKeySKNVXLIQXHNREQ-UHFFFAOYSA-N
XLogP3.34
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.61
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide with MolForge

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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-pyrrolidin-3-ylimidazo[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-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide (CID 67259833) is 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[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-pyrrolidin-3-ylimidazo[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-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)NC5CCNC5)ccn34)c12.
What is the InChIKey of 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide?
The InChIKey is SKNVXLIQXHNREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2/c1-3-22-27-23(8-5-9-24(27)37(35-22)17-21-7-4-6-18(2)32-21)34-29(39)25-16-31-26-14-19(11-13-36(25)26)28(38)33-20-10-12-30-15-20/h4-9,11,13-14,16,20,30H,3,10,12,15,17H2,1-2H3,(H,33,38)(H,34,39).
What are the key properties of 3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide?
3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide has a molecular weight of 522.61 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 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-pyrrolidin-3-ylimidazo[1,2-a]pyridine-3,7-dicarboxamide is sourced from PubChem (CID 67259833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).