5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide

C16H22FN7O — CID 167937899

IUPAC5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)c1cnc(C(N)=O)cn1
InChIInChI=1S/C16H22FN7O/c1-22(15-6-19-14(5-20-15)16(18)25)10-13-3-12(17)9-24(13)8-11-4-21-23(2)7-11/h4-7,12-13H,3,8-10H2,1-2H3,(H2,18,25)/t12-,13-/m0/s1
InChIKeyMOLYYQBLQHUELO-STQMWFEESA-N
MW347.40 g/mol
LogP0.36
Rot. Bonds6

About 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide

5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide (PubChem CID 167937899) has the molecular formula C16H22FN7O and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide
PubChem CID167937899
Molecular FormulaC16H22FN7O
Molecular Weight347.40 g/mol
Exact Mass347.19
IUPAC Name5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)c1cnc(C(N)=O)cn1
InChIInChI=1S/C16H22FN7O/c1-22(15-6-19-14(5-20-15)16(18)25)10-13-3-12(17)9-24(13)8-11-4-21-23(2)7-11/h4-7,12-13H,3,8-10H2,1-2H3,(H2,18,25)/t12-,13-/m0/s1
InChIKeyMOLYYQBLQHUELO-STQMWFEESA-N
XLogP0.36
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

trans-1-cyclopentyl-6-(4-methyl-1-((5-methylpyrazin-2-yl)methyl)pyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135875904
US9656988, Example 217
CID 118114664
US9656988, Example 216
CID 118114914
N-(2-cyclopentylpyrazol-3-yl)-5-methylpyrazine-2-carboxamide
CID 45845588
N-[1-(1-cyclopropylethyl)-4-methyl-1H-pyrazol-5-yl]pyrazine-2-carboxamide
CID 50962699
(3-Aminopyrazin-2-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53579241
(3-Aminopyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 53597803
(3-Aminopyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780197
3-methyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]imidazole-4-carboxamide
CID 125439014
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-(pyrrolidin-1-ylcarbonyl)pyrazin-2-amine
CID 129617771
N,7-Diethyl-N-[(1-ethyl-1H-pyrazol-4-YL)methyl]-8-oxo-5H,6H,7H,8H-imidazo[1,2-A]pyrazine-2-carboxamide
CID 132429934
6-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-1-prop-2-enyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 164631058

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide?
The IUPAC name of 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide (CID 167937899) is 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide is CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)c1cnc(C(N)=O)cn1.
What is the InChIKey of 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide?
The InChIKey is MOLYYQBLQHUELO-STQMWFEESA-N. The full InChI is InChI=1S/C16H22FN7O/c1-22(15-6-19-14(5-20-15)16(18)25)10-13-3-12(17)9-24(13)8-11-4-21-23(2)7-11/h4-7,12-13H,3,8-10H2,1-2H3,(H2,18,25)/t12-,13-/m0/s1.
What are the key properties of 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide?
5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 167937899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).