3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine

C20H22F3N5O — CID 166961736

IUPAC3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1ccn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2c1
InChIInChI=1S/C20H22F3N5O/c1-11(2)29-12-4-6-28-17(10-25-18(28)7-12)19-14(22)8-15(23)20(27-19)26-16-9-24-5-3-13(16)21/h4,6-8,10-11,13,16,24H,3,5,9H2,1-2H3,(H,26,27)/t13-,16-/m0/s1
InChIKeyHCHLTTBJHNWMPS-BBRMVZONSA-N
MW405.42 g/mol
LogP3.57
Rot. Bonds5

About 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine

3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (PubChem CID 166961736) has the molecular formula C20H22F3N5O and a molecular weight of 405.42 g/mol. Its IUPAC name is 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
PubChem CID166961736
Molecular FormulaC20H22F3N5O
Molecular Weight405.42 g/mol
Exact Mass405.18
IUPAC Name3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1ccn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2c1
InChIInChI=1S/C20H22F3N5O/c1-11(2)29-12-4-6-28-17(10-25-18(28)7-12)19-14(22)8-15(23)20(27-19)26-16-9-24-5-3-13(16)21/h4,6-8,10-11,13,16,24H,3,5,9H2,1-2H3,(H,26,27)/t13-,16-/m0/s1
InChIKeyHCHLTTBJHNWMPS-BBRMVZONSA-N
XLogP3.57
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (CID 166961736) is 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is CC(C)Oc1ccn2c(-c3nc(N[C@H]4CNCC[C@@H]4F)c(F)cc3F)cnc2c1.
What is the InChIKey of 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The InChIKey is HCHLTTBJHNWMPS-BBRMVZONSA-N. The full InChI is InChI=1S/C20H22F3N5O/c1-11(2)29-12-4-6-28-17(10-25-18(28)7-12)19-14(22)8-15(23)20(27-19)26-16-9-24-5-3-13(16)21/h4,6-8,10-11,13,16,24H,3,5,9H2,1-2H3,(H,26,27)/t13-,16-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine has a molecular weight of 405.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 166961736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).