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

C19H22FN5O — CID 166961710

IUPACN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C19H22FN5O/c1-12(2)26-13-6-7-25-17(11-22-19(25)8-13)15-4-3-5-18(23-15)24-16-10-21-9-14(16)20/h3-8,11-12,14,16,21H,9-10H2,1-2H3,(H,23,24)/t14-,16-/m0/s1
InChIKeyFUFJXODRNRQIRI-HOCLYGCPSA-N
MW355.42 g/mol
LogP2.91
Rot. Bonds5

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

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (PubChem CID 166961710) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
PubChem CID166961710
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
SMILESCC(C)Oc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C19H22FN5O/c1-12(2)26-13-6-7-25-17(11-22-19(25)8-13)15-4-3-5-18(23-15)24-16-10-21-9-14(16)20/h3-8,11-12,14,16,21H,9-10H2,1-2H3,(H,23,24)/t14-,16-/m0/s1
InChIKeyFUFJXODRNRQIRI-HOCLYGCPSA-N
XLogP2.91
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.91
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-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine (CID 166961710) is 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 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 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(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
The InChIKey is FUFJXODRNRQIRI-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-12(2)26-13-6-7-25-17(11-22-19(25)8-13)15-4-3-5-18(23-15)24-16-10-21-9-14(16)20/h3-8,11-12,14,16,21H,9-10H2,1-2H3,(H,23,24)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine?
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 355.42 g/mol, XLogP of 2.91, 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-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 166961710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).