7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C32H36N8O2 — CID 57387639

IUPAC7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2cccc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(CNC6)C5)ccn34)c12
InChIInChI=1S/C32H36N8O2/c1-21(2)25-7-4-6-23(35-25)16-40-27-9-5-8-26(30(27)22(3)37-40)36-31(41)28-15-34-29-14-24(10-11-39(28)29)42-13-12-38-19-32(20-38)17-33-18-32/h4-11,14-15,21,33H,12-13,16-20H2,1-3H3,(H,36,41)
InChIKeyCVIHPOUCFBKTEP-UHFFFAOYSA-N
MW564.69 g/mol
LogP4.10
Rot. Bonds9

About 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57387639) has the molecular formula C32H36N8O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57387639
Molecular FormulaC32H36N8O2
Molecular Weight564.69 g/mol
Exact Mass564.30
IUPAC Name7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2cccc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(CNC6)C5)ccn34)c12
InChIInChI=1S/C32H36N8O2/c1-21(2)25-7-4-6-23(35-25)16-40-27-9-5-8-26(30(27)22(3)37-40)36-31(41)28-15-34-29-14-24(10-11-39(28)29)42-13-12-38-19-32(20-38)17-33-18-32/h4-11,14-15,21,33H,12-13,16-20H2,1-3H3,(H,36,41)
InChIKeyCVIHPOUCFBKTEP-UHFFFAOYSA-N
XLogP4.10
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.69
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 57387639) is 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nn(Cc2cccc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC6(CNC6)C5)ccn34)c12.
What is the InChIKey of 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CVIHPOUCFBKTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O2/c1-21(2)25-7-4-6-23(35-25)16-40-27-9-5-8-26(30(27)22(3)37-40)36-31(41)28-15-34-29-14-24(10-11-39(28)29)42-13-12-38-19-32(20-38)17-33-18-32/h4-11,14-15,21,33H,12-13,16-20H2,1-3H3,(H,36,41).
What are the key properties of 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 564.69 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,6-diazaspiro[3.3]heptan-2-yl)ethoxy]-N-[3-methyl-1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57387639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).