6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine

C18H18F3N5O — CID 166961592

IUPAC6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
SMILESFC(F)Oc1ccn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C18H18F3N5O/c19-12-4-6-22-9-14(12)25-16-3-1-2-13(24-16)15-10-23-17-8-11(27-18(20)21)5-7-26(15)17/h1-3,5,7-8,10,12,14,18,22H,4,6,9H2,(H,24,25)/t12-,14-/m0/s1
InChIKeyFSABXDWXYCSPTM-JSGCOSHPSA-N
MW377.37 g/mol
LogP3.11
Rot. Bonds5

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

6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine (PubChem CID 166961592) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
PubChem CID166961592
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine
SMILESFC(F)Oc1ccn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C18H18F3N5O/c19-12-4-6-22-9-14(12)25-16-3-1-2-13(24-16)15-10-23-17-8-11(27-18(20)21)5-7-26(15)17/h1-3,5,7-8,10,12,14,18,22H,4,6,9H2,(H,24,25)/t12-,14-/m0/s1
InChIKeyFSABXDWXYCSPTM-JSGCOSHPSA-N
XLogP3.11
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine (CID 166961592) is 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine is FC(F)Oc1ccn2c(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine?
The InChIKey is FSABXDWXYCSPTM-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-12-4-6-22-9-14(12)25-16-3-1-2-13(24-16)15-10-23-17-8-11(27-18(20)21)5-7-26(15)17/h1-3,5,7-8,10,12,14,18,22H,4,6,9H2,(H,24,25)/t12-,14-/m0/s1.
What are the key properties of 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine?
6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine has a molecular weight of 377.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropiperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).