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

C18H21FN6O — CID 166961723

IUPACN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
SMILESCC(C)Oc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C18H21FN6O/c1-11(2)26-12-3-4-25-16(9-22-18(25)5-12)15-8-21-10-17(24-15)23-14-7-20-6-13(14)19/h3-5,8-11,13-14,20H,6-7H2,1-2H3,(H,23,24)/t13-,14-/m0/s1
InChIKeyHHVUHFYJIYORJI-KBPBESRZSA-N
MW356.41 g/mol
LogP2.30
Rot. Bonds5

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

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine (PubChem CID 166961723) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
PubChem CID166961723
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
SMILESCC(C)Oc1ccn2c(-c3cncc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C18H21FN6O/c1-11(2)26-12-3-4-25-16(9-22-18(25)5-12)15-8-21-10-17(24-15)23-14-7-20-6-13(14)19/h3-5,8-11,13-14,20H,6-7H2,1-2H3,(H,23,24)/t13-,14-/m0/s1
InChIKeyHHVUHFYJIYORJI-KBPBESRZSA-N
XLogP2.30
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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)pyrazin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine (CID 166961723) is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-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)pyrazin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine is CC(C)Oc1ccn2c(-c3cncc(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)pyrazin-2-amine?
The InChIKey is HHVUHFYJIYORJI-KBPBESRZSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-11(2)26-12-3-4-25-16(9-22-18(25)5-12)15-8-21-10-17(24-15)23-14-7-20-6-13(14)19/h3-5,8-11,13-14,20H,6-7H2,1-2H3,(H,23,24)/t13-,14-/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)pyrazin-2-amine?
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine has a molecular weight of 356.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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)pyrazin-2-amine is sourced from PubChem (CID 166961723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).