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

C17H21FN6S — CID 128974168

IUPAC1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)cs1
InChIInChI=1S/C17H21FN6S/c1-12-22-14(11-25-12)10-23-9-13(18)4-15(23)5-20-6-16-7-21-17-8-19-2-3-24(16)17/h2-3,7-8,11,13,15,20H,4-6,9-10H2,1H3/t13-,15-/m0/s1
InChIKeyIFIHEJAMNLYWRT-ZFWWWQNUSA-N
MW360.46 g/mol
LogP2.20
Rot. Bonds6

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

1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine (PubChem CID 128974168) has the molecular formula C17H21FN6S and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
PubChem CID128974168
Molecular FormulaC17H21FN6S
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)cs1
InChIInChI=1S/C17H21FN6S/c1-12-22-14(11-25-12)10-23-9-13(18)4-15(23)5-20-6-16-7-21-17-8-19-2-3-24(16)17/h2-3,7-8,11,13,15,20H,4-6,9-10H2,1H3/t13-,15-/m0/s1
InChIKeyIFIHEJAMNLYWRT-ZFWWWQNUSA-N
XLogP2.20
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929172
4-(4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}-1H-1,2,3-triazol-1-yl)piperidine
CID 70776889
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-5-propyl-1,3-thiazol-2-amine
CID 86790671
2-(8-Methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 166082362
2-Methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 119141274
2-Methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 119141275
2-Methyl-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 120967370
5-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 128970845
1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 128972915
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 128991979
N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128992583
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129001388

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine (CID 128974168) is 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine is Cc1nc(CN2C[C@@H](F)C[C@H]2CNCc2cnc3cnccn23)cs1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
The InChIKey is IFIHEJAMNLYWRT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H21FN6S/c1-12-22-14(11-25-12)10-23-9-13(18)4-15(23)5-20-6-16-7-21-17-8-19-2-3-24(16)17/h2-3,7-8,11,13,15,20H,4-6,9-10H2,1H3/t13-,15-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine?
1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine has a molecular weight of 360.46 g/mol, XLogP of 2.20, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)methanamine is sourced from PubChem (CID 128974168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).