N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide

C27H26N6O2 — CID 176623819

IUPACN-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ncc(-c2ccc(C3CC3)cn2)cc1NC(=O)c1cnc2ccc(N3CC4(COC4)C3)cn12
InChIInChI=1S/C27H26N6O2/c1-17-23(8-20(10-28-17)22-6-4-19(9-29-22)18-2-3-18)31-26(34)24-11-30-25-7-5-21(12-33(24)25)32-13-27(14-32)15-35-16-27/h4-12,18H,2-3,13-16H2,1H3,(H,31,34)
InChIKeyBHSUXSIYLNUJER-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.07
Rot. Bonds5

About N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 176623819) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID176623819
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ncc(-c2ccc(C3CC3)cn2)cc1NC(=O)c1cnc2ccc(N3CC4(COC4)C3)cn12
InChIInChI=1S/C27H26N6O2/c1-17-23(8-20(10-28-17)22-6-4-19(9-29-22)18-2-3-18)31-26(34)24-11-30-25-7-5-21(12-33(24)25)32-13-27(14-32)15-35-16-27/h4-12,18H,2-3,13-16H2,1H3,(H,31,34)
InChIKeyBHSUXSIYLNUJER-UHFFFAOYSA-N
XLogP4.07
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 176623819) is N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ncc(-c2ccc(C3CC3)cn2)cc1NC(=O)c1cnc2ccc(N3CC4(COC4)C3)cn12.
What is the InChIKey of N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BHSUXSIYLNUJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-17-23(8-20(10-28-17)22-6-4-19(9-29-22)18-2-3-18)31-26(34)24-11-30-25-7-5-21(12-33(24)25)32-13-27(14-32)15-35-16-27/h4-12,18H,2-3,13-16H2,1H3,(H,31,34).
What are the key properties of N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyclopropyl-2-pyridinyl)-2-methyl-3-pyridinyl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 176623819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).