2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

C22H27N5O — CID 166961661

IUPAC2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2ncc(-c3cccc(NC4CC5(CCNC5)C4)n3)n2c1
InChIInChI=1S/C22H27N5O/c1-21(2,28)15-6-7-20-24-12-18(27(20)13-15)17-4-3-5-19(26-17)25-16-10-22(11-16)8-9-23-14-22/h3-7,12-13,16,23,28H,8-11,14H2,1-2H3,(H,25,26)
InChIKeyKZKACJGEEOVTBJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.18
Rot. Bonds4

About 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 166961661) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID166961661
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2ncc(-c3cccc(NC4CC5(CCNC5)C4)n3)n2c1
InChIInChI=1S/C22H27N5O/c1-21(2,28)15-6-7-20-24-12-18(27(20)13-15)17-4-3-5-19(26-17)25-16-10-22(11-16)8-9-23-14-22/h3-7,12-13,16,23,28H,8-11,14H2,1-2H3,(H,25,26)
InChIKeyKZKACJGEEOVTBJ-UHFFFAOYSA-N
XLogP3.18
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 166961661) is 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(C)(O)c1ccc2ncc(-c3cccc(NC4CC5(CCNC5)C4)n3)n2c1.
What is the InChIKey of 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is KZKACJGEEOVTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-21(2,28)15-6-7-20-24-12-18(27(20)13-15)17-4-3-5-19(26-17)25-16-10-22(11-16)8-9-23-14-22/h3-7,12-13,16,23,28H,8-11,14H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 377.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(6-azaspiro[3.4]octan-2-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 166961661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).