N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine

C21H25N5O — CID 166962134

IUPACN-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine
SMILESCC(C)Oc1ccn2c(-c3cccc(NC4CNCC45CC5)n3)cnc2c1
InChIInChI=1S/C21H25N5O/c1-14(2)27-15-6-9-26-17(11-23-20(26)10-15)16-4-3-5-19(24-16)25-18-12-22-13-21(18)7-8-21/h3-6,9-11,14,18,22H,7-8,12-13H2,1-2H3,(H,24,25)
InChIKeyPHCCNVIIMGBAHP-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.35
Rot. Bonds5

About N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine

N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine (PubChem CID 166962134) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound NameN-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine
PubChem CID166962134
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine
SMILESCC(C)Oc1ccn2c(-c3cccc(NC4CNCC45CC5)n3)cnc2c1
InChIInChI=1S/C21H25N5O/c1-14(2)27-15-6-9-26-17(11-23-20(26)10-15)16-4-3-5-19(24-16)25-18-12-22-13-21(18)7-8-21/h3-6,9-11,14,18,22H,7-8,12-13H2,1-2H3,(H,24,25)
InChIKeyPHCCNVIIMGBAHP-UHFFFAOYSA-N
XLogP3.35
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine (CID 166962134) is N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine is CC(C)Oc1ccn2c(-c3cccc(NC4CNCC45CC5)n3)cnc2c1.
What is the InChIKey of N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is PHCCNVIIMGBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14(2)27-15-6-9-26-17(11-23-20(26)10-15)16-4-3-5-19(24-16)25-18-12-22-13-21(18)7-8-21/h3-6,9-11,14,18,22H,7-8,12-13H2,1-2H3,(H,24,25).
What are the key properties of N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine?
N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 363.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 166962134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).