N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine

C20H21F2N5 — CID 163444570

IUPACN-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine
SMILESFC(F)c1ccc2ncc(-c3cccc(NC4CC5(CCNC5)C4)n3)n2c1
InChIInChI=1S/C20H21F2N5/c21-19(22)13-4-5-18-24-10-16(27(18)11-13)15-2-1-3-17(26-15)25-14-8-20(9-14)6-7-23-12-20/h1-5,10-11,14,19,23H,6-9,12H2,(H,25,26)
InChIKeyBBKKFCZZAZLULJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.89
Rot. Bonds4

About N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine

N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine (PubChem CID 163444570) has the molecular formula C20H21F2N5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound NameN-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine
PubChem CID163444570
Molecular FormulaC20H21F2N5
Molecular Weight369.42 g/mol
Exact Mass369.18
IUPAC NameN-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine
SMILESFC(F)c1ccc2ncc(-c3cccc(NC4CC5(CCNC5)C4)n3)n2c1
InChIInChI=1S/C20H21F2N5/c21-19(22)13-4-5-18-24-10-16(27(18)11-13)15-2-1-3-17(26-15)25-14-8-20(9-14)6-7-23-12-20/h1-5,10-11,14,19,23H,6-9,12H2,(H,25,26)
InChIKeyBBKKFCZZAZLULJ-UHFFFAOYSA-N
XLogP3.89
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 49971
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CID 53262401
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CID 5164
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CID 9806182
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CID 9797240
CID 9797240
CID 735319
CID 735319
CID 10133248
CID 10133248
CID 25169383
CID 25169383
CID 122179546
CID 122179546
CID 135233366
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CID 15953860
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CID 46216378
CID 46216378

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine (CID 163444570) is N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine is FC(F)c1ccc2ncc(-c3cccc(NC4CC5(CCNC5)C4)n3)n2c1.
What is the InChIKey of N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine?
The InChIKey is BBKKFCZZAZLULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5/c21-19(22)13-4-5-18-24-10-16(27(18)11-13)15-2-1-3-17(26-15)25-14-8-20(9-14)6-7-23-12-20/h1-5,10-11,14,19,23H,6-9,12H2,(H,25,26).
What are the key properties of N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine?
N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine has a molecular weight of 369.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 163444570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).