N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine

C20H23F2N5O — CID 166961552

IUPACN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1F
InChIInChI=1S/C20H23F2N5O/c1-12(2)28-18-8-20-24-10-17(27(20)11-14(18)22)15-4-3-5-19(25-15)26-16-9-23-7-6-13(16)21/h3-5,8,10-13,16,23H,6-7,9H2,1-2H3,(H,25,26)/t13-,16-/m0/s1
InChIKeyJOBAEWAZUAPIKW-BBRMVZONSA-N
MW387.43 g/mol
LogP3.43
Rot. Bonds5

About N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine

N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (PubChem CID 166961552) has the molecular formula C20H23F2N5O and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
PubChem CID166961552
Molecular FormulaC20H23F2N5O
Molecular Weight387.43 g/mol
Exact Mass387.19
IUPAC NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1F
InChIInChI=1S/C20H23F2N5O/c1-12(2)28-18-8-20-24-10-17(27(20)11-14(18)22)15-4-3-5-19(25-15)26-16-9-23-7-6-13(16)21/h3-5,8,10-13,16,23H,6-7,9H2,1-2H3,(H,25,26)/t13-,16-/m0/s1
InChIKeyJOBAEWAZUAPIKW-BBRMVZONSA-N
XLogP3.43
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (CID 166961552) is N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is CC(C)Oc1cc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2cc1F.
What is the InChIKey of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The InChIKey is JOBAEWAZUAPIKW-BBRMVZONSA-N. The full InChI is InChI=1S/C20H23F2N5O/c1-12(2)28-18-8-20-24-10-17(27(20)11-14(18)22)15-4-3-5-19(25-15)26-16-9-23-7-6-13(16)21/h3-5,8,10-13,16,23H,6-7,9H2,1-2H3,(H,25,26)/t13-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine has a molecular weight of 387.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(6-fluoro-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 166961552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).