1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine

C17H21FN6O — CID 154753619

IUPAC1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)on1
InChIInChI=1S/C17H21FN6O/c1-12-4-16(25-22-12)11-23-10-13(18)5-14(23)6-20-7-15-8-21-17-9-19-2-3-24(15)17/h2-4,8-9,13-14,20H,5-7,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyBNLVDVUQYHACGQ-KBPBESRZSA-N
MW344.39 g/mol
LogP1.73
Rot. Bonds6

About 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine

1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine (PubChem CID 154753619) has the molecular formula C17H21FN6O and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
PubChem CID154753619
Molecular FormulaC17H21FN6O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Name1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)on1
InChIInChI=1S/C17H21FN6O/c1-12-4-16(25-22-12)11-23-10-13(18)5-14(23)6-20-7-15-8-21-17-9-19-2-3-24(15)17/h2-4,8-9,13-14,20H,5-7,10-11H2,1H3/t13-,14-/m0/s1
InChIKeyBNLVDVUQYHACGQ-KBPBESRZSA-N
XLogP1.73
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine (CID 154753619) is 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine is Cc1cc(CN2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)on1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The InChIKey is BNLVDVUQYHACGQ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H21FN6O/c1-12-4-16(25-22-12)11-23-10-13(18)5-14(23)6-20-7-15-8-21-17-9-19-2-3-24(15)17/h2-4,8-9,13-14,20H,5-7,10-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine has a molecular weight of 344.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine is sourced from PubChem (CID 154753619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).