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

C19H20F3N5O — CID 163829148

IUPAC3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1ccn2c(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)cnc2c1
InChIInChI=1S/C19H20F3N5O/c1-10(2)28-11-3-4-27-16(9-24-17(27)5-11)18-12(20)6-13(21)19(26-18)25-15-8-23-7-14(15)22/h3-6,9-10,14-15,23H,7-8H2,1-2H3,(H,25,26)/t14-,15-/m0/s1
InChIKeyOCDYJTRAVKONSS-GJZGRUSLSA-N
MW391.40 g/mol
LogP3.18
Rot. Bonds5

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

3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (PubChem CID 163829148) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
PubChem CID163829148
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1ccn2c(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)cnc2c1
InChIInChI=1S/C19H20F3N5O/c1-10(2)28-11-3-4-27-16(9-24-17(27)5-11)18-12(20)6-13(21)19(26-18)25-15-8-23-7-14(15)22/h3-6,9-10,14-15,23H,7-8H2,1-2H3,(H,25,26)/t14-,15-/m0/s1
InChIKeyOCDYJTRAVKONSS-GJZGRUSLSA-N
XLogP3.18
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (CID 163829148) is 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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-fluoropyrrolidin-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-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is CC(C)Oc1ccn2c(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)cnc2c1.
What is the InChIKey of 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The InChIKey is OCDYJTRAVKONSS-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-10(2)28-11-3-4-27-16(9-24-17(27)5-11)18-12(20)6-13(21)19(26-18)25-15-8-23-7-14(15)22/h3-6,9-10,14-15,23H,7-8H2,1-2H3,(H,25,26)/t14-,15-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine has a molecular weight of 391.40 g/mol, XLogP of 3.18, 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-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 163829148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).